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[unittest] Add ctreactor tests
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@ischoegl
ischoegl committed Mar 2, 2023
1 parent 13e7d89 commit 278203c
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Showing 2 changed files with 112 additions and 55 deletions.
60 changes: 34 additions & 26 deletions test/clib/clib_interface.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -76,7 +76,7 @@ TEST(ct, cabinet_exceptions)
solution_name(999, 0, 0);

string err = reportError();
EXPECT_THAT(err, HasSubstr("Invalid index 999."));
EXPECT_THAT(err, HasSubstr("Index 999 out of range."));

solution_del(999);
err = reportError();
Expand All @@ -94,7 +94,7 @@ TEST(ct, new_solution)
int ref = solution_newFromFile("h2o2.yaml", name.c_str(), "");

int buflen = solution_name(ref, 0, 0) + 1; // include \0
ASSERT_EQ(buflen, name.size() + 1);
ASSERT_EQ(buflen, int(name.size() + 1));

char* buf = new char[buflen];
solution_name(ref, buflen, buf);
Expand Down Expand Up @@ -143,7 +143,7 @@ TEST(ct, thermo)
int ret;
int thermo = thermo_newFromFile("gri30.yaml", "gri30");
ASSERT_GE(thermo, 0);
size_t nsp = thermo_nSpecies(thermo);
int nsp = thermo_nSpecies(thermo);
ASSERT_EQ(nsp, 53);

auto& phase = ThermoCabinet::item(thermo);
Expand All @@ -170,27 +170,32 @@ TEST(ct, thermo)
TEST(ct, kinetics)
{
int thermo = thermo_newFromFile("gri30.yaml", "gri30");
int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, -1, -1, -1, -1);
ASSERT_GE(kin, 0);

int nr = kin_nReactions(kin);
ASSERT_EQ(nr, 325);

thermo_equilibrate(thermo, "HP", 0, 1e-9, 50000, 1000, 0);
double T = thermo_temperature(thermo);
thermo_setTemperature(thermo, T - 200);

int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, 0, 0, 0, 0);
ASSERT_GE(kin, 0);
auto sol = newSolution("gri30.yaml", "gri30", "none");
auto phase = sol->thermo();
auto kinetics = sol->kinetics();

size_t nr = kin_nReactions(kin);
ASSERT_EQ(nr, 325);
phase->equilibrate("HP");
ASSERT_NEAR(T, phase->temperature(), 1e-2);
phase->setTemperature(T - 200);

int ret = thermo_setTemperature(thermo, T - 200);
ASSERT_EQ(ret, 0);
vector<double> c_ropf(nr);
kin_getFwdRatesOfProgress(kin, 325, c_ropf.data());
vector<double> cpp_ropf(nr);
kinetics->getFwdRatesOfProgress(cpp_ropf.data());

// char buf [1000];
// double ropf[325];
// printf("\n Reaction Forward ROP\n");
// kin_getFwdRatesOfProgress(kin, 325, ropf);
// int n; // declare this here for C89 compatibility
// for (n = 0; n < nr; n++) {
// kin_getReactionString(kin, n, 1000, buf);
// printf("%35s %8.6e\n", buf, ropf[n]);
// }
for (int n = 0; n < nr; n++) {
ASSERT_NEAR(cpp_ropf[n], c_ropf[n], 1e-6);
}
}

TEST(ct, transport)
Expand All @@ -199,16 +204,19 @@ TEST(ct, transport)
int tran = trans_newDefault(thermo, 0);
ASSERT_GE(tran, 0);

double dkm[53];
int ret = trans_getMixDiffCoeffs(tran, 53, dkm);
int nsp = thermo_nSpecies(thermo);
vector<double> c_dkm(nsp);
int ret = trans_getMixDiffCoeffs(tran, 53, c_dkm.data());
ASSERT_EQ(ret, 0);

// // printf("\n Species Mix diff coeff\n");
// int k; // declare this here for C89 compatibility
// for (k = 0; k < nsp; k++) {
// thermo_getSpeciesName(thermo, k, 1000, buf);
// printf("%10s %8.6e\n", buf, dkm[k]);
// }
vector<double> cpp_dkm(nsp);
auto sol = newSolution("gri30.yaml", "gri30");
auto transport = sol->transport();
transport->getMixDiffCoeffs(cpp_dkm.data());

for (int n = 0; n < nsp; n++) {
ASSERT_NEAR(cpp_dkm[n], c_dkm[n], 1e-6);
}
}


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107 changes: 78 additions & 29 deletions test/clib/test_ctreactor.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -15,16 +15,18 @@ template<> NetworkCabinet* NetworkCabinet::s_storage;

typedef SharedCabinet<ThermoPhase> ThermoCabinet;
typedef SharedCabinet<Kinetics> KineticsCabinet;
typedef SharedCabinet<Solution> SolutionCabinet;
template<> ThermoCabinet* ThermoCabinet::s_storage;
template<> KineticsCabinet* KineticsCabinet::s_storage;
template<> SolutionCabinet* SolutionCabinet::s_storage;

TEST(ctreactor, reactor_objects)
{
ThermoCabinet::reset();
KineticsCabinet::reset();

int thermo = thermo_newFromFile("gri30.yaml", "gri30");
int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, 0, 0, 0, 0);
int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, -1, -1, -1, -1);

int reactor = reactor_new("IdealGasReactor");
ASSERT_GT(reactor, 0);
Expand All @@ -37,48 +39,95 @@ TEST(ctreactor, reactor_objects)
ASSERT_EQ(&igr.contents(), ThermoCabinet::at(thermo).get());
}

TEST(ctreactor, reactor)
vector<double> T_blessed = {
1050.000, 1050.064, 1050.197, 1050.369, 1050.593, 1050.881, 1051.253, 1051.736,
1052.370, 1053.216, 1054.372, 1056.007, 1058.448, 1062.431, 1070.141, 1094.331,
2894.921, 2894.921, 2894.921, 2894.921, 2894.921};

TEST(ctreactor, reactor_cpp)
{
int thermo = thermo_newFromFile("gri30.yaml", "gri30");
int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, 0, 0, 0, 0);
double T = 1050;
double P = 5 * 101325;
string X = "CH4:1.0, O2:2.0, N2:7.52";

auto sol = newSolution("gri30.yaml", "gri30", "none");
sol->thermo()->setState_TPX(T, P, X);
IdealGasReactor cppReactor;
cppReactor.insert(sol);
cppReactor.initialize();
ReactorNet network;
network.addReactor(cppReactor);
network.initialize();

double t = 0.0;
int count = 0;
while (t < 0.1) {
double Tref = T_blessed[count];
ASSERT_NEAR(cppReactor.temperature(), Tref, 1e-2);
t = network.time() + 5e-3;
network.advance(t);
count++;
}
}

TEST(ctreactor, reactor_insert)
{
double T = 1050;
double P = 5 * 101325;
string X = "CH4:1.0, O2:2.0, N2:7.52";

auto& phase = ThermoCabinet::item(thermo);
thermo_setTemperature(thermo, 1050);
thermo_setPressure(thermo, 5 * 101325);
ASSERT_NEAR(phase.pressure(), 5 * 101325, 1e-2);
thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52");
thermo_setPressure(thermo, 5 * 101325);
ASSERT_NEAR(phase.pressure(), 5 * 101325, 1e-2);
int sol = solution_newFromFile("gri30.yaml", "gri30", "none");
int thermo = solution_thermo(sol);
thermo_setMoleFractionsByName(thermo, X.c_str());
thermo_setTemperature(thermo, T);
thermo_setPressure(thermo, P);

int reactor = reactor_new("IdealGasReactor");
ASSERT_GT(reactor, 0);
reactor_setThermoMgr(reactor, thermo);
reactor_setKineticsMgr(reactor, kin);
int ret = reactor_insert(reactor, sol);
ASSERT_EQ(ret, 0);
int net = reactornet_new();
int ret = reactornet_addreactor(net, reactor);
ret = reactornet_addreactor(net, reactor);
ASSERT_EQ(ret, 0);

ret = thermo_print(thermo, 1, 1.e-6);
double t = 0.0;
int count = 0;
while (t < 0.1) {
double Tref = T_blessed[count];
ASSERT_NEAR(reactor_temperature(reactor), Tref, 1e-2);
t = reactornet_time(net) + 5e-3;
ret = reactornet_advance(net, t);
ASSERT_EQ(ret, 0);
count++;
}
}

auto& igr = ReactorCabinet::item(reactor);
TEST(ctreactor, reactor_from_parts)
{
double T = 1050;
double P = 5 * 101325;
string X = "CH4:1.0, O2:2.0, N2:7.52";

ASSERT_NEAR(igr.temperature(), 1050, 1e-2);
ASSERT_NEAR(igr.pressure(), 5 * 101325, 1e-2);
int thermo = thermo_newFromFile("gri30.yaml", "gri30");
int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, -1, -1, -1, -1);
thermo_setMoleFractionsByName(thermo, X.c_str());
thermo_setTemperature(thermo, T);
thermo_setPressure(thermo, P);

vector<double> Tvec = {
1050.000, 1050.063, 1050.192, 1050.361, 1050.578, 1050.858, 1051.216, 1051.680,
1052.286, 1053.088, 1054.174, 1055.692, 1057.919, 1061.450, 1067.905, 1084.644,
2894.008, 2894.004, 2894.004, 2894.004, 2894.004};
int reactor = reactor_new("IdealGasReactor");
reactor_setThermoMgr(reactor, thermo);
reactor_setKineticsMgr(reactor, kin);
int net = reactornet_new();
int ret = reactornet_addreactor(net, reactor);
ASSERT_EQ(ret, 0);

double t = 0.0;
int count = 0;
while (t < 0.1) {
double T = reactor_temperature(reactor);
T = thermo_temperature(thermo);
double Tref = Tvec[count];
ASSERT_NEAR(T, Tref, 1e-2);
t = reactornet_time(net);
ret = reactornet_advance(net, t + 5e-3);
T = reactor_temperature(reactor);
double Tref = T_blessed[count];
ASSERT_NEAR(reactor_temperature(reactor), Tref, 1e-2);
t = reactornet_time(net) + 5e-3;
ret = reactornet_advance(net, t);
ASSERT_EQ(ret, 0);
count++;
}
Expand Down

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