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[Test] Move "ChemEquil_gri_pairs" to GTest suite

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Also extend test to cover MultiPhase and VcsNonideal solvers as well.
This commit is contained in:
Ray Speth 2015-06-23 17:22:30 -04:00
parent 4273fe865d
commit f252ff16cb
5 changed files with 98 additions and 130 deletions
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113
test/equil/equil_gas.cpp
View file

@ -100,10 +100,10 @@ TEST_F(OverconstrainedEquil, DISABLED_BasisOptimize2)
ASSERT_EQ(1, (int) nc);
}
class GriMatrix : public testing::Test
class GriEquilibriumTest : public testing::Test
{
public:
GriMatrix() : gas("gri30.xml", "gri30") {
GriEquilibriumTest() : gas("gri30.xml", "gri30") {
X.resize(gas.nSpecies());
Yelem.resize(gas.nElements());
};
@ -114,12 +114,9 @@ public:
}
}
void check(double T, double P) {
EXPECT_CLOSE(gas.temperature(), T, 1e-9);
EXPECT_CLOSE(gas.pressure(), P, 1e-9);
void check(double tol=1e-8) {
for (size_t i = 0; i < gas.nElements(); i++) {
EXPECT_CLOSE(Yelem[i], gas.elementalMassFraction(i), 1e-8);
EXPECT_CLOSE(Yelem[i], gas.elementalMassFraction(i), tol);
}
vector_fp mu(gas.nSpecies());
@ -145,13 +142,27 @@ public:
}
}
IdealGasPhase gas;
vector_fp X;
vector_fp Yelem;
};
class GriMatrix : public GriEquilibriumTest
{
public:
void check_TP(double T, double P) {
EXPECT_CLOSE(gas.temperature(), T, 1e-9);
EXPECT_CLOSE(gas.pressure(), P, 1e-9);
check();
}
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);
check_TP(T, OneAtm);
}
}
@ -161,7 +172,7 @@ public:
gas.setState_TPX(T, OneAtm, "O2:3, N2:2");
save_elemental_mole_fractions();
gas.equilibrate("TP", solver);
check(T, OneAtm);
check_TP(T, OneAtm);
}
}
@ -171,7 +182,7 @@ public:
gas.setState_TPX(T, OneAtm, "CH4:3, O2:3, N2:4");
save_elemental_mole_fractions();
gas.equilibrate("TP", solver);
check(T, OneAtm);
check_TP(T, OneAtm);
}
}
@ -188,15 +199,11 @@ public:
gas.setState_TPX(T, P, "CH4:1, O2:1");
save_elemental_mole_fractions();
gas.equilibrate("TP", solver);
check(T, P);
check_TP(T, P);
}
}
}
}
IdealGasPhase gas;
vector_fp X;
vector_fp Yelem;
};
TEST_F(GriMatrix, ChemEquil_CH4_N2) { check_CH4_N2("element_potential"); }
@ -212,6 +219,82 @@ 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"); }
// Test for equilibrium at property pairs other than T and P, which require
// nested iterations.
class PropertyPairs : public GriEquilibriumTest
{
public:
void check_HP(const std::string& solver) {
gas.setState_TPX(500, 1e5, "CH4:0.3, O2:0.3, N2:0.4");
double h0 = gas.enthalpy_mass();
save_elemental_mole_fractions();
gas.equilibrate("HP", solver);
EXPECT_NEAR(h0, gas.enthalpy_mass(), 1e-3);
EXPECT_NEAR(1e5, gas.pressure(), 1e-3);
check();
}
void check_SP(const std::string& solver) {
gas.setState_TPX(500, 3e5, "CH4:0.3, O2:0.3, N2:0.4");
double s0 = gas.entropy_mass();
save_elemental_mole_fractions();
gas.equilibrate("SP", solver);
EXPECT_NEAR(s0, gas.entropy_mass(), 1e-4);
EXPECT_NEAR(3e5, gas.pressure(), 1e-3);
check();
}
void check_SV(const std::string& solver) {
gas.setState_TPX(500, 3e5, "CH4:0.3, O2:0.3, N2:0.4");
double s0 = gas.entropy_mass();
double rho0 = gas.density();
save_elemental_mole_fractions();
gas.equilibrate("SV", solver);
EXPECT_NEAR(s0, gas.entropy_mass(), 1e-4);
EXPECT_NEAR(rho0, gas.density(), 1e-5);
check();
}
void check_TV(const std::string& solver) {
gas.setState_TPX(500, 3e5, "CH4:0.3, O2:0.3, N2:0.4");
double rho0 = gas.density();
save_elemental_mole_fractions();
gas.equilibrate("TV", solver, 1e-11);
EXPECT_NEAR(rho0, gas.density(), 1e-5);
EXPECT_NEAR(500, gas.temperature(), 1e-4);
// @todo Figure out why looser tolerances are required for MultiPhase
// solver
check(5e-8);
}
void check_UV(const std::string& solver) {
gas.setState_TPX(500, 3e5, "CH4:0.3, O2:0.3, N2:0.4");
double u0 = gas.intEnergy_mass();
double rho0 = gas.density();
save_elemental_mole_fractions();
gas.equilibrate("UV", solver);
EXPECT_NEAR(u0, gas.intEnergy_mass(), 1e-4);
EXPECT_NEAR(rho0, gas.density(), 1e-5);
check();
}
};
TEST_F(PropertyPairs, ChemEquil_HP) { check_HP("element_potential"); }
TEST_F(PropertyPairs, MultiPhase_HP) { check_HP("gibbs"); }
TEST_F(PropertyPairs, VcsNonideal_HP) { check_HP("vcs"); }
TEST_F(PropertyPairs, ChemEquil_SP) { check_SP("element_potential"); }
TEST_F(PropertyPairs, MultiPhase_SP) { check_SP("gibbs"); }
TEST_F(PropertyPairs, VcsNonideal_SP) { check_SP("vcs"); }
TEST_F(PropertyPairs, ChemEquil_SV) { check_SV("element_potential"); }
// TEST_F(PropertyPairs, MultiPhase_SV) { check_SV("gibbs"); } // not implemented
TEST_F(PropertyPairs, VcsNonideal_SV) { check_SV("vcs"); }
TEST_F(PropertyPairs, ChemEquil_TV) { check_TV("element_potential"); }
TEST_F(PropertyPairs, MultiPhase_TV) { check_TV("gibbs"); }
TEST_F(PropertyPairs, VcsNonideal_TV) { check_TV("vcs"); }
TEST_F(PropertyPairs, ChemEquil_UV) { check_UV("element_potential"); }
// TEST_F(PropertyPairs, MultiPhase_UV) { check_UV("gibbs"); } // not implemented
TEST_F(PropertyPairs, VcsNonideal_UV) { check_UV("vcs"); }
int main(int argc, char** argv)
{
printf("Running main() from equil_gas.cpp\n");

70
test_problems/ChemEquil_gri_pairs/gri_pairs.cpp
View file

@ -1,70 +0,0 @@
/*
* Copyright 2002 California Institute of Technology
*/
#include "cantera/IdealGasMix.h"
#include <cstdio>
using namespace std;
using namespace Cantera;
int main(int argc, char** argv)
{
#ifdef _MSC_VER
_set_output_format(_TWO_DIGIT_EXPONENT);
#endif
try {
IdealGasMix g("gri30.xml", "gri30_mix");
double pres = 1.0E5;
g.setState_TPX(1500.0, pres, "CH4:0.3, O2:0.3, N2:0.4");
g.equilibrate("TP", "auto");
//cout << g;
double enth = g.enthalpy_mass();
printf(" enth = %g\n", enth);
enth -= 1.0E5;
printf("attempted equil at (H,P) = %10.5g, %10.5g\n", enth, pres);
g.setState_HP(enth, pres);
g.equilibrate("HP", "auto");
//cout << g;
double entrop = g.entropy_mass();
printf(" entropy = %g\n", entrop);
entrop += 1.0E2;
printf("attempted equil at (S,P) = %10.5g, %10.5g\n", entrop, pres);
g.setState_SP(entrop, pres);
g.equilibrate("SP", "auto");
//cout << g;
double dens = g.density();
printf(" dens = %g\n", dens);
dens *= 0.9;
double vol = 1.0/dens;
printf("attempted equil at (S,V,dens) = %10.5g, %10.5g, %10.5g\n", entrop, vol, 1.0/vol);
g.setState_SV(entrop, vol);
g.equilibrate("SV", "auto");
//cout << g;
double temp = 1800.;
printf("attempted equil at (T,V, dens) = %10.5g, %10.5g, %10.5g\n", temp, vol, 1.0/vol);
g.setTemperature(temp);
g.equilibrate("TV", "auto");
//cout << g;
double inte = g.intEnergy_mass();
printf(" inte = %g\n", inte);
inte -= 1.0E5;
printf("attempted equil at (U,V,dens) = %10.5g, %10.5g, %10.5g\n", inte, vol, 1.0/vol);
g.setState_UV(inte, vol);
g.equilibrate("UV", "auto");
//cout << g;
return 0;
} catch (CanteraError& err) {
std::cerr << err.what() << std::endl;
cerr << "program terminating." << endl;
return -1;
}
}

9
test_problems/ChemEquil_gri_pairs/output_blessed.txt
View file

@ -1,9 +0,0 @@
enth = -2.1541e+06
attempted equil at (H,P) = -2.2541e+06, 1e+05
entropy = 12212
attempted equil at (S,P) = 12312, 1e+05
dens = 0.155457
attempted equil at (S,V,dens) = 12312, 7.1474, 0.13991
attempted equil at (T,V, dens) = 1800, 7.1474, 0.13991
inte = -2.31473e+06
attempted equil at (U,V,dens) = -2.4147e+06, 7.1474, 0.13991

34
test_problems/ChemEquil_gri_pairs/runtest
View file

@ -1,34 +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_pairs > output.txt
retnStat=$?
if [ $retnStat != "0" ]
then
temp_success="0"
echo "gri_pairs returned with bad status, $retnStat, check output"
fi
../../bin/exp3to2.sh output.txt > outputa.txt
diff -w outputa.txt output_blessed.txt > diff_test.out
retnStat=$?
if [ $retnStat = "0" ]
then
echo "successful diff comparison on ChemEquil_gri_pairs test"
return 0
else
echo "unsuccessful diff comparison on ChemEquil_gri_pairs test"
echo "FAILED" > csvCode.txt
temp_success="0"
return 1
fi

2
test_problems/SConscript
View file

@ -220,8 +220,6 @@ CompileAndTest('ISSPTester2', 'cathermo/VPissp',
'ISSPTester2', 'output_blessed.txt')
CompileAndTest('wtWater', 'cathermo/wtWater',
'wtWater', 'output_blessed.txt')
CompileAndTest('ChemEquil_gri_pairs',
'ChemEquil_gri_pairs', 'gri_pairs', 'output_blessed.txt')
CompileAndTest('ChemEquil_ionizedGas',
'ChemEquil_ionizedGas', 'ionizedGasEquil',
'output_blessed.txt',