From 30d1d5ea99f9b616ad03fd7a389305462d0613d4 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Wed, 17 Jun 2015 14:38:11 -0400 Subject: [PATCH] [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. --- test/equil/equil_gas.cpp | 121 ++++++++ .../ChemEquil_gri_matrix/gri_matrix.cpp | 182 ----------- .../ChemEquil_gri_matrix/output_blessed.txt | 290 ------------------ test_problems/ChemEquil_gri_matrix/runtest | 35 --- test_problems/SConscript | 2 - 5 files changed, 121 insertions(+), 509 deletions(-) delete mode 100644 test_problems/ChemEquil_gri_matrix/gri_matrix.cpp delete mode 100644 test_problems/ChemEquil_gri_matrix/output_blessed.txt delete mode 100755 test_problems/ChemEquil_gri_matrix/runtest diff --git a/test/equil/equil_gas.cpp b/test/equil/equil_gas.cpp index 920c18cff..2b8864419 100644 --- a/test/equil/equil_gas.cpp +++ b/test/equil/equil_gas.cpp @@ -1,11 +1,20 @@ #include "gtest/gtest.h" #include "cantera/thermo/ThermoFactory.h" +#include "cantera/thermo/IdealGasPhase.h" #include "cantera/equil/MultiPhase.h" #include "cantera/base/global.h" +#include "cantera/base/utilities.h" using namespace Cantera; +bool double_close(double expected, double actual, double tol) +{ + return std::abs(expected-actual) / (std::abs(expected) + tol) < tol; +} + +#define EXPECT_CLOSE(a,b,tol) EXPECT_PRED3(double_close, a,b,tol) + class OverconstrainedEquil : public testing::Test { public: @@ -91,6 +100,118 @@ TEST_F(OverconstrainedEquil, DISABLED_BasisOptimize2) ASSERT_EQ(1, (int) nc); } +class GriMatrix : public testing::Test +{ +public: + GriMatrix() : gas("gri30.xml", "gri30") { + X.resize(gas.nSpecies()); + Yelem.resize(gas.nElements()); + }; + + void save_elemental_mole_fractions() { + for (size_t i = 0; i < gas.nElements(); i++) { + Yelem[i] = gas.elementalMassFraction(i); + } + } + + void check(double T, double P) { + EXPECT_CLOSE(gas.temperature(), T, 1e-9); + EXPECT_CLOSE(gas.pressure(), P, 1e-9); + + for (size_t i = 0; i < gas.nElements(); i++) { + EXPECT_CLOSE(Yelem[i], gas.elementalMassFraction(i), 1e-8); + } + + vector_fp mu(gas.nSpecies()); + gas.getChemPotentials(&mu[0]); + double mu_C = mu[gas.speciesIndex("C")]; + double mu_H = mu[gas.speciesIndex("H")]; + double mu_O = mu[gas.speciesIndex("O")]; + double mu_N = mu[gas.speciesIndex("N")]; + double mu_Ar = mu[gas.speciesIndex("AR")]; + + gas.getMoleFractions(&X[0]); + for (size_t k = 0; k < gas.nSpecies(); k++) { + if (X[k] < 1e-15) { + continue; + } + shared_ptr s = gas.species(k); + double muk = mu_C * getValue(s->composition, std::string("C"), 0.0) + + mu_H * getValue(s->composition, std::string("H"), 0.0) + + mu_O * getValue(s->composition, std::string("O"), 0.0) + + mu_N * getValue(s->composition, std::string("N"), 0.0) + + mu_Ar * getValue(s->composition, std::string("AR"), 0.0); + EXPECT_CLOSE(muk, mu[k], 1e-7); + } + } + + void check_CH4_N2(const std::string& solver) { + for (int i = 0; i < 5; i++) { + double T = 500 + 300 * i; + gas.setState_TPX(T, OneAtm, "CH4:3, N2:2"); + save_elemental_mole_fractions(); + gas.equilibrate("TP", solver); + check(T, OneAtm); + } + } + + void check_O2_N2(const std::string& solver) { + for (int i = 0; i < 5; i++) { + double T = 500 + 300 * i; + gas.setState_TPX(T, OneAtm, "O2:3, N2:2"); + save_elemental_mole_fractions(); + gas.equilibrate("TP", solver); + check(T, OneAtm); + } + } + + void check_CH4_O2_N2(const std::string& solver) { + for (int i = 0; i < 6; i++) { + double T = 500 + 300 * i; + gas.setState_TPX(T, OneAtm, "CH4:3, O2:3, N2:4"); + save_elemental_mole_fractions(); + gas.equilibrate("TP", solver); + check(T, OneAtm); + } + } + + void check_CH4_O2(const std::string& solver) { + for (int i = 0; i < 5; i++) { + compositionMap comp; + comp["CH4"] = i * 0.6 / 5.0; + comp["O2"] = 1.0 - i * 0.6 / 5.0; + comp["N2"] = 0.2; + for (int j = 0; j < 8; j++) { + double P = std::pow(10.0, j) * 1e-2; + for (int k = 0; k < 10; k++) { + double T = 300 + 250 * k; + gas.setState_TPX(T, P, "CH4:1, O2:1"); + save_elemental_mole_fractions(); + gas.equilibrate("TP", solver); + check(T, P); + } + } + } + } + + IdealGasPhase gas; + vector_fp X; + vector_fp Yelem; +}; + +TEST_F(GriMatrix, ChemEquil_CH4_N2) { check_CH4_N2("element_potential"); } +TEST_F(GriMatrix, ChemEquil_O2_N2) { check_O2_N2("element_potential"); } +TEST_F(GriMatrix, ChemEquil_CH4_O2_N2) { check_CH4_O2_N2("element_potential"); } +TEST_F(GriMatrix, ChemEquil_CH4_O2) { check_CH4_O2("element_potential"); } +TEST_F(GriMatrix, MultiPhase_CH4_N2) { check_CH4_N2("gibbs"); } +TEST_F(GriMatrix, MultiPhase_O2_N2) { check_O2_N2("gibbs"); } +TEST_F(GriMatrix, MultiPhase_CH4_O2_N2) { check_CH4_O2_N2("gibbs"); } +TEST_F(GriMatrix, DISABLED_MultiPhase_CH4_O2) { check_CH4_O2("gibbs"); } +TEST_F(GriMatrix, VcsNonideal_CH4_N2) { check_CH4_N2("vcs"); } +TEST_F(GriMatrix, VcsNonideal_O2_N2) { check_O2_N2("vcs"); } +TEST_F(GriMatrix, VcsNonideal_CH4_O2_N2) { check_CH4_O2_N2("vcs"); } +TEST_F(GriMatrix, VcsNonideal_CH4_O2) { check_CH4_O2("vcs"); } + int main(int argc, char** argv) { printf("Running main() from equil_gas.cpp\n"); diff --git a/test_problems/ChemEquil_gri_matrix/gri_matrix.cpp b/test_problems/ChemEquil_gri_matrix/gri_matrix.cpp deleted file mode 100644 index db6653b51..000000000 --- a/test_problems/ChemEquil_gri_matrix/gri_matrix.cpp +++ /dev/null @@ -1,182 +0,0 @@ -/* - * Copyright 2002 California Institute of Technology - */ - -#include "cantera/IdealGasMix.h" - -using namespace std; -using namespace Cantera; - -int main(int argc, char** argv) -{ -#ifdef _MSC_VER - _set_output_format(_TWO_DIGIT_EXPONENT); -#endif - int numSucc = 0; - int numFail = 0; - try { - double T = 500.; - string solver = "auto"; - - IdealGasMix g("gri30.xml", "gri30_mix"); - double pres = OneAtm; - - size_t kk = g.nSpecies(); - vector_fp Xmol(kk, 0.0); - size_t iCH4 = g.speciesIndex("CH4"); - size_t iO2 = g.speciesIndex("O2"); - size_t iN2 = g.speciesIndex("N2"); - - /* - * Do an initial calculation that can be debugged - * easily - */ - Xmol[iCH4] = 0.6; - Xmol[iO2] = 0.0; - Xmol[iN2] = 0.4; - g.setState_TPX(T, pres, DATA_PTR(Xmol)); - try { - g.equilibrate("TP", solver); - cout << g.report(true, 0.0); - } catch (CanteraError& err) { - cout << g.report(true, 0.0); - std::cerr << err.what() << std::endl; - cerr << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - cout << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - exit(-1); - } - - /* - * Do an initial calculation that can be debugged - * easily - */ - Xmol[iCH4] = 0.0; - Xmol[iO2] = 0.6; - Xmol[iN2] = 0.4; - g.setState_TPX(T, pres, DATA_PTR(Xmol)); - try { - g.equilibrate("TP", solver); - cout << g.report(true, 0.0); - } catch (CanteraError& err) { - cout << g.report(true, 0.0); - std::cerr << err.what() << std::endl; - cerr << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - cout << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - exit(-1); - } - - /* - * Do an initial calculation that can be debugged - * easily - */ - Xmol[iCH4] = 0.3; - Xmol[iO2] = 0.3; - Xmol[iN2] = 0.4; - T = 2000.; - pres = OneAtm; - g.setState_TPX(T, pres, DATA_PTR(Xmol)); - try { - g.equilibrate("TP", solver); - cout << g.report(true, 0.0); - } catch (CanteraError& err) { - cout << g.report(true, 0.0); - std::cerr << err.what() << std::endl; - cerr << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - cout << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - exit(-1); - } - - /* - * Do an initial calculation that can be debugged - * easily - */ - Xmol[iCH4] = 0.3; - Xmol[iO2] = 0.3; - Xmol[iN2] = 0.0; - T = 2000.; - pres = 1.0; - g.setState_TPX(T, pres, DATA_PTR(Xmol)); - try { - g.equilibrate("TP", solver); - cout << g.report(true, 0.0); - } catch (CanteraError& err) { - cout << g.report(true, 0.0); - std::cerr << err.what() << std::endl; - cerr << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - cout << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - exit(-1); - } - - /* - * OK do the matrix. - */ - bool showResults = false; - for (int iS = 0; iS < 6; iS++) { - Xmol[iCH4] = iS * 0.6 / 5.0; - Xmol[iO2] = 1.0 - Xmol[iCH4] - Xmol[iN2]; - for (int iP = 0; iP < 10; iP++) { - pres = pow(10.0, iP) *1.0E-2; - for (int iT = 0; iT < 25; iT++) { - double T = 100. * iT + 300.; - - /* - * Reset mole fractions to a base state - */ - g.setState_TPX(T, pres, DATA_PTR(Xmol)); - - try { - g.equilibrate("TP", solver); - numSucc++; - } catch (CanteraError& err) { - std::cerr << err.what() << std::endl; - cerr << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - cout << "ERROR: equilibration step failed at " - << " T = " << T - << " Pres = " << pres - << endl; - numFail++; - } - if (showResults) { - cout << g.report(true, 0.0); - } - } - } - } - - cout << "NUMBER OF SUCCESSES = " << numSucc << endl; - cout << "NUMBER OF FAILURES = " << numFail << endl; - - return numFail; - } catch (CanteraError& err) { - std::cerr << err.what() << std::endl; - cerr << "ERROR: program terminating due to unforeseen circumstances." << endl; - return -1; - } -} diff --git a/test_problems/ChemEquil_gri_matrix/output_blessed.txt b/test_problems/ChemEquil_gri_matrix/output_blessed.txt deleted file mode 100644 index 0fac995a1..000000000 --- a/test_problems/ChemEquil_gri_matrix/output_blessed.txt +++ /dev/null @@ -1,290 +0,0 @@ - - gri30_mix: - - temperature 500 K - pressure 101325 Pa - density 0.507719 kg/m^3 - mean mol. weight 20.8311 amu - - 1 kg 1 kmol - ----------- ------------ - enthalpy -1.7981e+06 -3.746e+07 J - internal energy -1.99767e+06 -4.161e+07 J - entropy 10204.8 2.126e+05 J/K - Gibbs function -6.90049e+06 -1.437e+08 J - heat capacity c_p 1908.33 3.975e+04 J/K - heat capacity c_v 1509.19 3.144e+04 J/K - - X Y Chem. Pot. / RT - ------------- ------------ ------------ - H2 0.000116242 1.1249e-05 -25.1739 - H 7.50073e-23 3.62934e-24 -12.587 - O 0 0 - O2 0 0 - OH 0 0 - H2O 0 0 - HO2 0 0 - H2O2 0 0 - C 2.51101e-63 1.44783e-63 8.95153 - CH 5.65939e-55 3.53699e-55 -3.63544 - CH2 2.17058e-38 1.46159e-38 -16.2224 - CH2(S) 1.35699e-42 9.13749e-43 -16.2224 - CH3 3.27367e-18 2.36277e-18 -28.8094 - CH4 0.599767 0.461903 -41.3964 - CO 0 0 - CO2 0 0 - HCO 0 0 - CH2O 0 0 - CH2OH 0 0 - CH3O 0 0 - CH3OH 0 0 - C2H 3.61997e-46 4.34965e-46 5.31609 - C2H2 6.0347e-17 7.5431e-17 -7.27089 - C2H3 3.63018e-28 4.71321e-28 -19.8579 - C2H4 1.47659e-08 1.98857e-08 -32.4448 - C2H5 1.95525e-19 2.7278e-19 -45.0318 - C2H6 0.000116084 0.000167567 -57.6188 - HCCO 0 0 - CH2CO 0 0 - HCCOH 0 0 - N 2.91172e-47 1.95783e-47 -12.1739 - NH 3.97359e-39 2.8641e-39 -24.7609 - NH2 1.27658e-26 9.81909e-27 -37.3479 - NH3 2.50763e-07 2.05013e-07 -49.9348 - NNH 6.80126e-31 9.47538e-31 -36.9348 - NO 0 0 - NO2 0 0 - N2O 0 0 - HNO 0 0 - CN 3.39689e-37 4.24268e-37 -3.22238 - HCN 1.71533e-10 2.22543e-10 -15.8094 - H2CN 6.1207e-27 8.237e-27 -28.3963 - HCNN 8.8321e-48 1.73972e-47 -27.9833 - HCNO 0 0 - HOCN 0 0 - HNCO 0 0 - NCO 0 0 - N2 0.4 0.537918 -24.3478 - AR 0 0 - C3H7 3.21265e-22 6.64529e-22 -61.2542 - C3H8 2.52213e-07 5.339e-07 -73.8412 - CH2CHO 0 0 - CH3CHO 0 0 - - gri30_mix: - - temperature 500 K - pressure 101325 Pa - density 0.741058 kg/m^3 - mean mol. weight 30.4047 amu - - 1 kg 1 kmol - ----------- ------------ - enthalpy 198008 6.02e+06 J - internal energy 61277.4 1.863e+06 J - entropy 7258.13 2.207e+05 J/K - Gibbs function -3.43106e+06 -1.043e+08 J - heat capacity c_p 1003.28 3.05e+04 J/K - heat capacity c_v 729.823 2.219e+04 J/K - - X Y Chem. Pot. / RT - ------------- ------------ ------------ - H2 0 0 - H 0 0 - O 8.98043e-24 4.72564e-24 -12.7954 - O2 0.6 0.631458 -25.5908 - OH 0 0 - H2O 0 0 - HO2 0 0 - H2O2 0 0 - C 0 0 - CH 0 0 - CH2 0 0 - CH2(S) 0 0 - CH3 0 0 - CH4 0 0 - CO 0 0 - CO2 0 0 - HCO 0 0 - CH2O 0 0 - CH2OH 0 0 - CH3O 0 0 - CH3OH 0 0 - C2H 0 0 - C2H2 0 0 - C2H3 0 0 - C2H4 0 0 - C2H5 0 0 - C2H6 0 0 - 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 diff --git a/test_problems/ChemEquil_gri_matrix/runtest b/test_problems/ChemEquil_gri_matrix/runtest deleted file mode 100755 index 033893042..000000000 --- a/test_problems/ChemEquil_gri_matrix/runtest +++ /dev/null @@ -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 - diff --git a/test_problems/SConscript b/test_problems/SConscript index f53d722e1..2047bddfd 100644 --- a/test_problems/SConscript +++ b/test_problems/SConscript @@ -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',