[Test] Move "ChemEquil_gri_matrix" to GTest suite
This also modifies the test to explicitly test each of the equilibrium solvers, so that failures in any one solver aren't hidden by the fact that a different solver works for a particular initial condition.
This commit is contained in:
Ray Speth
parent
c2344377ac
commit
30d1d5ea99
5 changed files with 121 additions and 509 deletions
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@ -1,11 +1,20 @@
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#include "gtest/gtest.h"
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#include "cantera/thermo/ThermoFactory.h"
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#include "cantera/thermo/IdealGasPhase.h"
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#include "cantera/equil/MultiPhase.h"
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#include "cantera/base/global.h"
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#include "cantera/base/utilities.h"
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using namespace Cantera;
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bool double_close(double expected, double actual, double tol)
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{
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return std::abs(expected-actual) / (std::abs(expected) + tol) < tol;
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}
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#define EXPECT_CLOSE(a,b,tol) EXPECT_PRED3(double_close, a,b,tol)
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class OverconstrainedEquil : public testing::Test
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{
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public:
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@ -91,6 +100,118 @@ TEST_F(OverconstrainedEquil, DISABLED_BasisOptimize2)
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ASSERT_EQ(1, (int) nc);
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}
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class GriMatrix : public testing::Test
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{
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public:
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GriMatrix() : gas("gri30.xml", "gri30") {
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X.resize(gas.nSpecies());
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Yelem.resize(gas.nElements());
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};
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void save_elemental_mole_fractions() {
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for (size_t i = 0; i < gas.nElements(); i++) {
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Yelem[i] = gas.elementalMassFraction(i);
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}
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}
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void check(double T, double P) {
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EXPECT_CLOSE(gas.temperature(), T, 1e-9);
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EXPECT_CLOSE(gas.pressure(), P, 1e-9);
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for (size_t i = 0; i < gas.nElements(); i++) {
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EXPECT_CLOSE(Yelem[i], gas.elementalMassFraction(i), 1e-8);
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}
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vector_fp mu(gas.nSpecies());
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gas.getChemPotentials(&mu[0]);
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double mu_C = mu[gas.speciesIndex("C")];
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double mu_H = mu[gas.speciesIndex("H")];
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double mu_O = mu[gas.speciesIndex("O")];
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double mu_N = mu[gas.speciesIndex("N")];
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double mu_Ar = mu[gas.speciesIndex("AR")];
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gas.getMoleFractions(&X[0]);
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for (size_t k = 0; k < gas.nSpecies(); k++) {
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if (X[k] < 1e-15) {
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continue;
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}
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shared_ptr<Species> s = gas.species(k);
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double muk = mu_C * getValue(s->composition, std::string("C"), 0.0) +
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mu_H * getValue(s->composition, std::string("H"), 0.0) +
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mu_O * getValue(s->composition, std::string("O"), 0.0) +
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mu_N * getValue(s->composition, std::string("N"), 0.0) +
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mu_Ar * getValue(s->composition, std::string("AR"), 0.0);
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EXPECT_CLOSE(muk, mu[k], 1e-7);
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}
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}
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void check_CH4_N2(const std::string& solver) {
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for (int i = 0; i < 5; i++) {
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double T = 500 + 300 * i;
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gas.setState_TPX(T, OneAtm, "CH4:3, N2:2");
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save_elemental_mole_fractions();
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gas.equilibrate("TP", solver);
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check(T, OneAtm);
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}
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}
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void check_O2_N2(const std::string& solver) {
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for (int i = 0; i < 5; i++) {
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double T = 500 + 300 * i;
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gas.setState_TPX(T, OneAtm, "O2:3, N2:2");
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save_elemental_mole_fractions();
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gas.equilibrate("TP", solver);
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check(T, OneAtm);
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}
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}
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void check_CH4_O2_N2(const std::string& solver) {
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for (int i = 0; i < 6; i++) {
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double T = 500 + 300 * i;
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gas.setState_TPX(T, OneAtm, "CH4:3, O2:3, N2:4");
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save_elemental_mole_fractions();
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gas.equilibrate("TP", solver);
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check(T, OneAtm);
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}
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}
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void check_CH4_O2(const std::string& solver) {
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for (int i = 0; i < 5; i++) {
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compositionMap comp;
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comp["CH4"] = i * 0.6 / 5.0;
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comp["O2"] = 1.0 - i * 0.6 / 5.0;
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comp["N2"] = 0.2;
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for (int j = 0; j < 8; j++) {
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double P = std::pow(10.0, j) * 1e-2;
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for (int k = 0; k < 10; k++) {
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double T = 300 + 250 * k;
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gas.setState_TPX(T, P, "CH4:1, O2:1");
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save_elemental_mole_fractions();
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gas.equilibrate("TP", solver);
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check(T, P);
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}
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}
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}
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}
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IdealGasPhase gas;
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vector_fp X;
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vector_fp Yelem;
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};
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TEST_F(GriMatrix, ChemEquil_CH4_N2) { check_CH4_N2("element_potential"); }
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TEST_F(GriMatrix, ChemEquil_O2_N2) { check_O2_N2("element_potential"); }
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TEST_F(GriMatrix, ChemEquil_CH4_O2_N2) { check_CH4_O2_N2("element_potential"); }
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TEST_F(GriMatrix, ChemEquil_CH4_O2) { check_CH4_O2("element_potential"); }
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TEST_F(GriMatrix, MultiPhase_CH4_N2) { check_CH4_N2("gibbs"); }
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TEST_F(GriMatrix, MultiPhase_O2_N2) { check_O2_N2("gibbs"); }
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TEST_F(GriMatrix, MultiPhase_CH4_O2_N2) { check_CH4_O2_N2("gibbs"); }
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TEST_F(GriMatrix, DISABLED_MultiPhase_CH4_O2) { check_CH4_O2("gibbs"); }
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TEST_F(GriMatrix, VcsNonideal_CH4_N2) { check_CH4_N2("vcs"); }
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TEST_F(GriMatrix, VcsNonideal_O2_N2) { check_O2_N2("vcs"); }
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TEST_F(GriMatrix, VcsNonideal_CH4_O2_N2) { check_CH4_O2_N2("vcs"); }
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TEST_F(GriMatrix, VcsNonideal_CH4_O2) { check_CH4_O2("vcs"); }
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int main(int argc, char** argv)
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{
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printf("Running main() from equil_gas.cpp\n");
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@ -1,182 +0,0 @@
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/*
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* Copyright 2002 California Institute of Technology
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*/
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#include "cantera/IdealGasMix.h"
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using namespace std;
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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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int numSucc = 0;
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int numFail = 0;
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try {
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double T = 500.;
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string solver = "auto";
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IdealGasMix g("gri30.xml", "gri30_mix");
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double pres = OneAtm;
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size_t kk = g.nSpecies();
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vector_fp Xmol(kk, 0.0);
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size_t iCH4 = g.speciesIndex("CH4");
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size_t iO2 = g.speciesIndex("O2");
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size_t iN2 = g.speciesIndex("N2");
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/*
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* Do an initial calculation that can be debugged
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* easily
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*/
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Xmol[iCH4] = 0.6;
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Xmol[iO2] = 0.0;
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Xmol[iN2] = 0.4;
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g.setState_TPX(T, pres, DATA_PTR(Xmol));
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try {
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g.equilibrate("TP", solver);
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cout << g.report(true, 0.0);
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} catch (CanteraError& err) {
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cout << g.report(true, 0.0);
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std::cerr << err.what() << std::endl;
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cerr << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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cout << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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exit(-1);
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}
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/*
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* Do an initial calculation that can be debugged
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* easily
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*/
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Xmol[iCH4] = 0.0;
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Xmol[iO2] = 0.6;
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Xmol[iN2] = 0.4;
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g.setState_TPX(T, pres, DATA_PTR(Xmol));
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try {
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g.equilibrate("TP", solver);
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cout << g.report(true, 0.0);
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} catch (CanteraError& err) {
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cout << g.report(true, 0.0);
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std::cerr << err.what() << std::endl;
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cerr << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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cout << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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exit(-1);
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}
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/*
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* Do an initial calculation that can be debugged
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* easily
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*/
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Xmol[iCH4] = 0.3;
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Xmol[iO2] = 0.3;
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Xmol[iN2] = 0.4;
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T = 2000.;
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pres = OneAtm;
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g.setState_TPX(T, pres, DATA_PTR(Xmol));
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try {
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g.equilibrate("TP", solver);
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cout << g.report(true, 0.0);
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} catch (CanteraError& err) {
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cout << g.report(true, 0.0);
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std::cerr << err.what() << std::endl;
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cerr << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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cout << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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exit(-1);
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}
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/*
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* Do an initial calculation that can be debugged
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* easily
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*/
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Xmol[iCH4] = 0.3;
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Xmol[iO2] = 0.3;
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Xmol[iN2] = 0.0;
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T = 2000.;
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pres = 1.0;
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g.setState_TPX(T, pres, DATA_PTR(Xmol));
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try {
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g.equilibrate("TP", solver);
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cout << g.report(true, 0.0);
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} catch (CanteraError& err) {
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cout << g.report(true, 0.0);
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std::cerr << err.what() << std::endl;
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cerr << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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cout << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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exit(-1);
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}
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/*
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* OK do the matrix.
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*/
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bool showResults = false;
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for (int iS = 0; iS < 6; iS++) {
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Xmol[iCH4] = iS * 0.6 / 5.0;
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Xmol[iO2] = 1.0 - Xmol[iCH4] - Xmol[iN2];
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for (int iP = 0; iP < 10; iP++) {
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pres = pow(10.0, iP) *1.0E-2;
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for (int iT = 0; iT < 25; iT++) {
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double T = 100. * iT + 300.;
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/*
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* Reset mole fractions to a base state
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*/
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g.setState_TPX(T, pres, DATA_PTR(Xmol));
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try {
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g.equilibrate("TP", solver);
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numSucc++;
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} catch (CanteraError& err) {
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std::cerr << err.what() << std::endl;
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cerr << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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cout << "ERROR: equilibration step failed at "
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<< " T = " << T
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<< " Pres = " << pres
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<< endl;
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numFail++;
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}
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if (showResults) {
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cout << g.report(true, 0.0);
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}
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}
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}
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}
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cout << "NUMBER OF SUCCESSES = " << numSucc << endl;
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cout << "NUMBER OF FAILURES = " << numFail << endl;
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return numFail;
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} catch (CanteraError& err) {
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std::cerr << err.what() << std::endl;
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cerr << "ERROR: program terminating due to unforeseen circumstances." << endl;
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return -1;
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}
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}
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@ -1,290 +0,0 @@
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gri30_mix:
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temperature 500 K
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pressure 101325 Pa
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density 0.507719 kg/m^3
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mean mol. weight 20.8311 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy -1.7981e+06 -3.746e+07 J
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internal energy -1.99767e+06 -4.161e+07 J
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entropy 10204.8 2.126e+05 J/K
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Gibbs function -6.90049e+06 -1.437e+08 J
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heat capacity c_p 1908.33 3.975e+04 J/K
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heat capacity c_v 1509.19 3.144e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0.000116242 1.1249e-05 -25.1739
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H 7.50073e-23 3.62934e-24 -12.587
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O 0 0
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O2 0 0
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OH 0 0
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H2O 0 0
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HO2 0 0
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H2O2 0 0
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C 2.51101e-63 1.44783e-63 8.95153
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CH 5.65939e-55 3.53699e-55 -3.63544
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CH2 2.17058e-38 1.46159e-38 -16.2224
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CH2(S) 1.35699e-42 9.13749e-43 -16.2224
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CH3 3.27367e-18 2.36277e-18 -28.8094
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CH4 0.599767 0.461903 -41.3964
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CO 0 0
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CO2 0 0
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HCO 0 0
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CH2O 0 0
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CH2OH 0 0
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CH3O 0 0
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CH3OH 0 0
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C2H 3.61997e-46 4.34965e-46 5.31609
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C2H2 6.0347e-17 7.5431e-17 -7.27089
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C2H3 3.63018e-28 4.71321e-28 -19.8579
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C2H4 1.47659e-08 1.98857e-08 -32.4448
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C2H5 1.95525e-19 2.7278e-19 -45.0318
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C2H6 0.000116084 0.000167567 -57.6188
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HCCO 0 0
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CH2CO 0 0
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HCCOH 0 0
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N 2.91172e-47 1.95783e-47 -12.1739
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NH 3.97359e-39 2.8641e-39 -24.7609
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NH2 1.27658e-26 9.81909e-27 -37.3479
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NH3 2.50763e-07 2.05013e-07 -49.9348
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NNH 6.80126e-31 9.47538e-31 -36.9348
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NO 0 0
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NO2 0 0
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N2O 0 0
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HNO 0 0
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CN 3.39689e-37 4.24268e-37 -3.22238
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HCN 1.71533e-10 2.22543e-10 -15.8094
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H2CN 6.1207e-27 8.237e-27 -28.3963
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HCNN 8.8321e-48 1.73972e-47 -27.9833
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HCNO 0 0
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HOCN 0 0
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HNCO 0 0
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NCO 0 0
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N2 0.4 0.537918 -24.3478
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AR 0 0
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C3H7 3.21265e-22 6.64529e-22 -61.2542
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C3H8 2.52213e-07 5.339e-07 -73.8412
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CH2CHO 0 0
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CH3CHO 0 0
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gri30_mix:
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temperature 500 K
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pressure 101325 Pa
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density 0.741058 kg/m^3
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mean mol. weight 30.4047 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 198008 6.02e+06 J
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internal energy 61277.4 1.863e+06 J
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entropy 7258.13 2.207e+05 J/K
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Gibbs function -3.43106e+06 -1.043e+08 J
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heat capacity c_p 1003.28 3.05e+04 J/K
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heat capacity c_v 729.823 2.219e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0 0
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H 0 0
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O 8.98043e-24 4.72564e-24 -12.7954
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O2 0.6 0.631458 -25.5908
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OH 0 0
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H2O 0 0
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HO2 0 0
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H2O2 0 0
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C 0 0
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CH 0 0
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CH2 0 0
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CH2(S) 0 0
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CH3 0 0
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CH4 0 0
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CO 0 0
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CO2 0 0
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HCO 0 0
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CH2O 0 0
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CH2OH 0 0
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CH3O 0 0
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CH3OH 0 0
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C2H 0 0
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C2H2 0 0
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C2H3 0 0
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C2H4 0 0
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C2H5 0 0
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C2H6 0 0
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HCCO 0 0
|
||||
CH2CO 0 0
|
||||
HCCOH 0 0
|
||||
N 2.91172e-47 1.34136e-47 -12.1739
|
||||
NH 0 0
|
||||
NH2 0 0
|
||||
NH3 0 0
|
||||
NNH 0 0
|
||||
NO 6.40857e-10 6.32457e-10 -24.9693
|
||||
NO2 6.36105e-08 9.62495e-08 -37.7647
|
||||
N2O 1.20106e-13 1.73862e-13 -37.1432
|
||||
HNO 0 0
|
||||
CN 0 0
|
||||
HCN 0 0
|
||||
H2CN 0 0
|
||||
HCNN 0 0
|
||||
HCNO 0 0
|
||||
HOCN 0 0
|
||||
HNCO 0 0
|
||||
NCO 0 0
|
||||
N2 0.4 0.368542 -24.3478
|
||||
AR 0 0
|
||||
C3H7 0 0
|
||||
C3H8 0 0
|
||||
CH2CHO 0 0
|
||||
CH3CHO 0 0
|
||||
|
||||
gri30_mix:
|
||||
|
||||
temperature 2000 K
|
||||
pressure 101325 Pa
|
||||
density 0.120021 kg/m^3
|
||||
mean mol. weight 19.6972 amu
|
||||
|
||||
1 kg 1 kmol
|
||||
----------- ------------
|
||||
enthalpy -1.14349e+06 -2.252e+07 J
|
||||
internal energy -1.98772e+06 -3.915e+07 J
|
||||
entropy 12855 2.532e+05 J/K
|
||||
Gibbs function -2.68534e+07 -5.289e+08 J
|
||||
heat capacity c_p 2004.72 3.949e+04 J/K
|
||||
heat capacity c_v 1582.61 3.117e+04 J/K
|
||||
|
||||
X Y Chem. Pot. / RT
|
||||
------------- ------------ ------------
|
||||
H2 0.262869 0.0269029 -20.8151
|
||||
H 0.000834397 4.26975e-05 -10.4075
|
||||
O 1.45323e-07 1.18041e-07 -22.8166
|
||||
O2 4.72395e-08 7.67422e-08 -45.6333
|
||||
OH 6.26815e-05 5.41216e-05 -33.2242
|
||||
H2O 0.198012 0.181103 -43.6317
|
||||
HO2 4.13259e-11 6.925e-11 -56.0408
|
||||
H2O2 8.04483e-11 1.38924e-10 -66.4484
|
||||
C 9.37794e-16 5.71849e-16 -13.1535
|
||||
CH 2.5887e-15 1.71101e-15 -23.561
|
||||
CH2 2.34345e-13 1.66883e-13 -33.9686
|
||||
CH2(S) 1.13506e-14 8.08304e-15 -33.9686
|
||||
CH3 5.70093e-11 4.3515e-11 -44.3761
|
||||
CH4 9.12163e-10 7.42928e-10 -54.7837
|
||||
CO 0.198076 0.281674 -35.9701
|
||||
CO2 0.0325892 0.0728146 -58.7868
|
||||
HCO 5.95957e-08 8.77975e-08 -46.3777
|
||||
CH2O 2.14619e-08 3.27164e-08 -56.7852
|
||||
CH2OH 3.20751e-13 5.05364e-13 -67.1928
|
||||
CH3O 4.25882e-15 6.71004e-15 -67.1928
|
||||
CH3OH 7.49906e-13 1.2199e-12 -77.6003
|
||||
C2H 1.13972e-17 1.44828e-17 -36.7145
|
||||
C2H2 1.92206e-13 2.54078e-13 -47.122
|
||||
C2H3 8.41511e-18 1.15546e-17 -57.5296
|
||||
C2H4 3.42916e-16 4.88397e-16 -67.9371
|
||||
C2H5 2.15437e-20 3.17861e-20 -78.3447
|
||||
C2H6 4.61488e-20 7.04504e-20 -88.7522
|
||||
HCCO 5.83197e-15 1.2148e-14 -59.5311
|
||||
CH2CO 2.60466e-13 5.5588e-13 -69.9387
|
||||
HCCOH 1.13765e-16 2.42793e-16 -69.9387
|
||||
N 5.02707e-10 3.57477e-10 -14.0552
|
||||
NH 1.50719e-09 1.14889e-09 -24.4627
|
||||
NH2 1.44254e-08 1.17343e-08 -34.8703
|
||||
NH3 1.53645e-06 1.32844e-06 -45.2778
|
||||
NNH 6.16147e-10 9.07817e-10 -38.5179
|
||||
NO 2.27843e-06 3.47089e-06 -36.8718
|
||||
NO2 1.87305e-12 4.37477e-12 -59.6885
|
||||
N2O 8.05639e-11 1.80018e-10 -50.9271
|
||||
HNO 3.16512e-10 4.98361e-10 -47.2794
|
||||
CN 1.06666e-11 1.40893e-11 -27.2087
|
||||
HCN 1.6694e-07 2.29051e-07 -37.6162
|
||||
H2CN 2.03354e-13 2.89418e-13 -48.0238
|
||||
HCNN 9.59376e-19 1.99853e-18 -51.6714
|
||||
HCNO 2.14902e-15 4.69415e-15 -60.4329
|
||||
HOCN 7.61903e-11 1.66424e-10 -60.4329
|
||||
HNCO 4.82851e-08 1.0547e-07 -60.4329
|
||||
NCO 4.83294e-11 1.03094e-10 -50.0253
|
||||
N2 0.307552 0.437403 -28.1104
|
||||
AR 0 0
|
||||
C3H7 2.6613e-30 5.82171e-30 -112.313
|
||||
C3H8 5.43498e-30 1.21674e-29 -122.721
|
||||
CH2CHO 6.11141e-18 1.33555e-17 -80.3462
|
||||
CH3CHO 3.34175e-17 7.47388e-17 -90.7538
|
||||
|
||||
gri30_mix:
|
||||
|
||||
temperature 2000 K
|
||||
pressure 1 Pa
|
||||
density 8.11603e-07 kg/m^3
|
||||
mean mol. weight 13.4961 amu
|
||||
|
||||
1 kg 1 kmol
|
||||
----------- ------------
|
||||
enthalpy 1.84736e+06 2.493e+07 J
|
||||
internal energy 615230 8.303e+06 J
|
||||
entropy 24280.4 3.277e+05 J/K
|
||||
Gibbs function -4.67135e+07 -6.304e+08 J
|
||||
heat capacity c_p 2638.92 3.562e+04 J/K
|
||||
heat capacity c_v 2022.85 2.73e+04 J/K
|
||||
|
||||
X Y Chem. Pot. / RT
|
||||
------------- ------------ ------------
|
||||
H2 0.234986 0.0350993 -32.4533
|
||||
H 0.251121 0.0187546 -16.2267
|
||||
O 0.0158988 0.0188478 -22.7399
|
||||
O2 0.00558021 0.0132305 -45.4799
|
||||
OH 0.0203687 0.0256679 -38.9666
|
||||
H2O 0.19112 0.255117 -55.1932
|
||||
HO2 1.44997e-08 3.54612e-08 -61.7065
|
||||
H2O2 8.38392e-11 2.11303e-10 -77.9332
|
||||
C 1.04601e-15 9.30911e-16 -24.5704
|
||||
CH 8.57638e-18 8.27316e-18 -40.797
|
||||
CH2 2.30606e-18 2.39676e-18 -57.0237
|
||||
CH2(S) 1.11695e-19 1.16088e-19 -57.0237
|
||||
CH3 1.6663e-18 1.85628e-18 -73.2503
|
||||
CH4 7.91906e-20 9.41336e-20 -89.477
|
||||
CO 0.238548 0.495094 -47.3103
|
||||
CO2 0.0423771 0.138189 -70.0502
|
||||
HCO 2.13182e-10 4.58369e-10 -63.5369
|
||||
CH2O 2.28033e-13 5.07331e-13 -79.7636
|
||||
CH2OH 1.01226e-20 2.32768e-20 -95.9903
|
||||
CH3O 1.34404e-22 3.09061e-22 -95.9903
|
||||
CH3OH 7.02945e-23 1.66892e-22 -112.217
|
||||
C2H 4.15655e-25 7.70877e-25 -65.3674
|
||||
C2H2 2.08207e-23 4.01692e-23 -81.594
|
||||
C2H3 2.70758e-30 5.42591e-30 -97.8207
|
||||
C2H4 3.27719e-31 6.81215e-31 -114.047
|
||||
C2H5 6.11544e-38 1.31686e-37 -130.274
|
||||
C2H6 3.89099e-40 8.66922e-40 -146.501
|
||||
HCCO 2.29649e-22 6.98154e-22 -88.1073
|
||||
CH2CO 3.04645e-23 9.489e-23 -104.334
|
||||
HCCOH 1.33061e-26 4.14454e-26 -104.334
|
||||
N 0 0
|
||||
NH 0 0
|
||||
NH2 0 0
|
||||
NH3 0 0
|
||||
NNH 0 0
|
||||
NO 0 0
|
||||
NO2 0 0
|
||||
N2O 0 0
|
||||
HNO 0 0
|
||||
CN 0 0
|
||||
HCN 0 0
|
||||
H2CN 0 0
|
||||
HCNN 0 0
|
||||
HCNO 0 0
|
||||
HOCN 0 0
|
||||
HNCO 0 0
|
||||
NCO 0 0
|
||||
N2 0 0
|
||||
AR 0 0
|
||||
C3H7 7.33667e-58 2.34236e-57 -187.298
|
||||
C3H8 4.45038e-60 1.4541e-59 -203.524
|
||||
CH2CHO 2.12313e-30 6.77164e-30 -120.561
|
||||
CH3CHO 3.44828e-32 1.12557e-31 -136.787
|
||||
NUMBER OF SUCCESSES = 1500
|
||||
NUMBER OF FAILURES = 0
|
||||
|
|
@ -1,35 +0,0 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
#
|
||||
temp_success="1"
|
||||
/bin/rm -f output.txt outputa.txt
|
||||
|
||||
#################################################################
|
||||
#
|
||||
#################################################################
|
||||
CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA
|
||||
|
||||
CANTERA_BIN=${CANTERA_BIN:=../../bin}
|
||||
./gri_matrix > output.txt
|
||||
retnStat=$?
|
||||
if [ $retnStat != "0" ]
|
||||
then
|
||||
temp_success="0"
|
||||
echo "silane_equil returned with bad status, $retnStat, check output"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
# ../../bin/exp3to2.sh output.txt > outputa.txt
|
||||
# diff -w outputa.txt output_blessed.txt > diff_test.out
|
||||
# retnStat=$?
|
||||
# if [ $retnStat = "0" ]
|
||||
# then
|
||||
# echo "successful diff comparison on ChemEquil_gri_matrix test"
|
||||
# exit 0
|
||||
# else
|
||||
# echo "unsuccessful diff comparison on ChemEquil_gri_matrix test"
|
||||
# echo "FAILED" > csvCode.txt
|
||||
# temp_success="0"
|
||||
# exit 1
|
||||
# fi
|
||||
|
||||
|
|
@ -220,8 +220,6 @@ CompileAndTest('ISSPTester2', 'cathermo/VPissp',
|
|||
'ISSPTester2', 'output_blessed.txt')
|
||||
CompileAndTest('wtWater', 'cathermo/wtWater',
|
||||
'wtWater', 'output_blessed.txt')
|
||||
CompileAndTest('ChemEquil_gri_matrix',
|
||||
'ChemEquil_gri_matrix', 'gri_matrix', 'output_blessed.txt')
|
||||
CompileAndTest('ChemEquil_gri_pairs',
|
||||
'ChemEquil_gri_pairs', 'gri_pairs', 'output_blessed.txt')
|
||||
CompileAndTest('ChemEquil_ionizedGas',
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue