[Test] Move NASA9poly test to GTest test suite
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Ray Speth
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337c573958
7 changed files with 129 additions and 6391 deletions
95
test/data/gasNASA9.xml
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95
test/data/gasNASA9.xml
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@ -0,0 +1,95 @@
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<ctml>
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<validate reactions="yes" species="yes"/>
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<phase dim="3" id="nasa9">
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<elementArray datasrc="elements.xml"> O H C N Ar </elementArray>
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<speciesArray datasrc="#species_data">
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H2 H2_NASA9 H2_NASA9_4REG
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</speciesArray>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="IdealGas"/>
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<kinetics model="None"/>
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<transport model="None"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_data">
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<!-- species H2 -->
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<species name="H2">
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<atomArray>H:2 </atomArray>
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<note>TPIS78</note>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
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</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
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2.002553760E-14, -9.501589220E+02, -3.205023310E+00
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</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species H2_NASA9 -->
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<species name="H2_NASA9">
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<atomArray>H:2 </atomArray>
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<note>Fictional - made up</note>
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<thermo>
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<NASA9 P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="9">
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0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
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</floatArray>
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</NASA9>
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<NASA9 P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="9">
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0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
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2.002553760E-14, -9.501589220E+02, -3.205023310E+00
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</floatArray>
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</NASA9>
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</thermo>
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</species>
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<!-- species H2_NASA9_4REG -->
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<species name="H2_NASA9_4REG">
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<atomArray>H:2 </atomArray>
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<note>Fictional - made up</note>
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<thermo>
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<NASA9 P0="100000.0" Tmax="500.0" Tmin="200.0">
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<floatArray name="coeffs" size="9">
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0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
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</floatArray>
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</NASA9>
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<NASA9 P0="100000.0" Tmax="1000.0" Tmin="500.0">
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<floatArray name="coeffs" size="9">
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0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
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</floatArray>
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</NASA9>
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<NASA9 P0="100000.0" Tmax="2000.0" Tmin="1000.0">
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<floatArray name="coeffs" size="9">
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0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
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2.002553760E-14, -9.501589220E+02, -3.205023310E+00
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</floatArray>
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</NASA9>
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<NASA9 P0="100000.0" Tmax="3500.0" Tmin="2000.0">
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<floatArray name="coeffs" size="9">
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0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
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2.002553760E-14, -9.501589220E+02, -3.205023310E+00
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</floatArray>
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</NASA9>
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</thermo>
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</species>
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</speciesData>
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</ctml>
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@ -1,5 +1,6 @@
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#include "gtest/gtest.h"
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#include "cantera/thermo/NasaPoly1.h"
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#include "cantera/IdealGasMix.h"
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namespace Cantera
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{
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@ -108,6 +109,39 @@ TEST_F(NasaPoly1Test, updatePropertiesTemp)
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EXPECT_DOUBLE_EQ(s_R1, s_R2);
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}
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TEST(Nasa9Test, Nasa9Thermo) {
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IdealGasMix g("../data/gasNASA9.xml", "nasa9");
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size_t nsp = g.nSpecies();
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double pres = 1.0E5;
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vector_fp Xset(nsp, 0.0);
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Xset[0] = 0.5;
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Xset[1] = 0.5;
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vector_fp cp_R(nsp, 0.0);
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vector_fp H_RT(nsp, 0.0);
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vector_fp S_R(nsp, 0.0);
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double T0 = 300.0;
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double dT = 199.0;
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double abstol = 1e-7;
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for (size_t i = 0; i < 15; i++) {
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g.setState_TPX(T0 + i*dT, pres, &Xset[0]);
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g.getEntropy_R(&S_R[0]);
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g.getCp_R(&cp_R[0]);
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g.getEnthalpy_RT(&H_RT[0]);
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EXPECT_NEAR(cp_R[0], cp_R[1], abstol);
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EXPECT_NEAR(cp_R[0], cp_R[2], abstol);
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EXPECT_NEAR(H_RT[0], H_RT[1], abstol);
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EXPECT_NEAR(H_RT[0], H_RT[2], abstol);
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EXPECT_NEAR(S_R[0], S_R[1], abstol);
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EXPECT_NEAR(S_R[0], S_R[2], abstol);
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}
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}
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} // namespace Cantera
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int main(int argc, char** argv)
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@ -1,61 +0,0 @@
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/**
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* @file NASA9poly_test
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* test problem for NASA 9 coefficient formulation
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*/
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#include "cantera/transport.h"
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#include "cantera/IdealGasMix.h"
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#include "cantera/transport/TransportFactory.h"
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#include <memory>
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#include <cstdio>
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using namespace Cantera;
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int main(int argc, char** argv)
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{
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#ifdef _MSC_VER
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_set_output_format(_TWO_DIGIT_EXPONENT);
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#endif
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try {
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IdealGasMix g("gasNASA9.xml", "gri30_mix");
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size_t nsp = g.nSpecies();
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double pres = 1.0E5;
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vector_fp Xset(nsp, 0.0);
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Xset[0] = 0.5 ;
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Xset[1] = 0.5;
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g.setState_TPX(1500.0, pres, &Xset[0]);
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vector_fp cp_R(nsp, 0.0);
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vector_fp H_RT(nsp, 0.0);
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vector_fp S_R(nsp, 0.0);
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g.getEntropy_R(&S_R[0]);
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g.getCp_R(&cp_R[0]);
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g.getEnthalpy_RT(&H_RT[0]);
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printf("Comparisons of H2 calculated via several equivalent classes:\n");
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printf("1500 K and 1 atm:\n");
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printf(" NasaThermo Nasa9 Nasa9_4reg \n");
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printf(" cp/R: %11.6g %11.6g %11.6g\n", cp_R[0], cp_R[1], cp_R[2]);
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printf(" H/RT: %11.6g %11.6g %11.6g\n", H_RT[0], H_RT[1], H_RT[2]);
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printf(" S/R: %11.6g %11.6g %11.6g\n", S_R[0], S_R[1], S_R[2]);
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std::auto_ptr<Transport> tran(newTransportMgr("Mix", &g));
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vector_fp Gvalues(nsp, 0.0);
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printf("Viscosity and thermal Cond vs. T\n");
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for (int k = 0; k < 40; k++) {
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double T1 = 400. + 200. * k;
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g.setState_TPX(T1, pres, &Xset[0]);
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g.getPureGibbs(&Gvalues[0]);
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double visc = tran->viscosity();
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double cond = tran->thermalConductivity();
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printf(" %13g %13.5g %13.5g\n", T1, visc, cond);
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}
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} catch (CanteraError& err) {
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std::cout << err.what() << std::endl;
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return 1;
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}
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return 0;
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}
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File diff suppressed because it is too large
Load diff
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Comparisons of H2 calculated via several equivalent classes:
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1500 K and 1 atm:
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NasaThermo Nasa9 Nasa9_4reg
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cp/R: 3.8823 3.8823 3.8823
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H/RT: 2.91015 2.91015 2.91015
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S/R: 21.5255 21.5255 21.5255
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Viscosity and thermal Cond vs. T
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400 1.0869e-05 0.2291
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600 1.4145e-05 0.29844
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800 1.7036e-05 0.36333
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1000 1.9676e-05 0.42821
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1200 2.2132e-05 0.49363
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1400 2.4445e-05 0.55933
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1600 2.6644e-05 0.62489
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1800 2.8746e-05 0.68996
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2000 3.0767e-05 0.7542
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2200 3.2716e-05 0.81739
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2400 3.4603e-05 0.87934
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2600 3.6434e-05 0.93991
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2800 3.8214e-05 0.99898
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3000 3.9949e-05 1.0565
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3200 4.1642e-05 1.1124
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3400 4.3296e-05 1.1666
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3600 4.4915e-05 1.2191
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3800 4.6501e-05 1.2699
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4000 4.8056e-05 1.319
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4200 4.9582e-05 1.3664
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4400 5.1081e-05 1.4121
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4600 5.2555e-05 1.456
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4800 5.4004e-05 1.4983
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5000 5.543e-05 1.5389
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5200 5.6835e-05 1.5779
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5400 5.8219e-05 1.6152
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5600 5.9583e-05 1.6509
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5800 6.0929e-05 1.685
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6000 6.2256e-05 1.7176
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6200 6.3566e-05 1.7485
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6400 6.486e-05 1.778
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6600 6.6137e-05 1.8059
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6800 6.74e-05 1.8323
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7000 6.8647e-05 1.8573
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7200 6.988e-05 1.8808
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7400 7.11e-05 1.9029
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7600 7.2306e-05 1.9236
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7800 7.3499e-05 1.9429
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8000 7.468e-05 1.9609
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8200 7.5849e-05 1.9775
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@ -1,37 +0,0 @@
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#!/bin/sh
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#
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#
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temp_success="1"
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/bin/rm -f output.txt outputa.txt
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tname="NASA9poly_test"
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#################################################################
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#
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#################################################################
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CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA
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CANTERA_BIN=${CANTERA_BIN:=../../bin}
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./NASA9poly_test > output.txt
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retnStat=$?
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if [ $retnStat != "0" ]
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then
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temp_success="0"
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echo "$tname ($tname test) returned with bad status, $retnStat, check output"
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exit 1
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fi
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../../bin/exp3to2.sh output.txt > outputa.txt
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diff -w outputa.txt output_blessed.txt > diff_test.out
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retnStat=$?
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if [ $retnStat = "0" ]
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then
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echo "successful diff comparison on $tname test"
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exit 0
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else
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echo "unsuccessful diff comparison on $tname test"
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echo "FAILED" > csvCode.txt
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temp_success="0"
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exit 0
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fi
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@ -262,7 +262,6 @@ CompileAndTest('mixGasTransport',
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'mixGasTransport', 'mixGasTransport', 'output_blessed.txt')
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CompileAndTest('multiGasTransport',
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'multiGasTransport', 'multiGasTransport', 'output_blessed.txt')
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CompileAndTest('NASA9poly', 'NASA9poly_test', 'NASA9poly_test', 'output_blessed.txt')
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negA = localenv.Program('negATest/negATest',
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mglob(env, 'negATest', 'cpp'),
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