void check_rates(size_t N, const std::string& X) {
for (size_t i = 0; i < kin_ref.nReactions(); i++) {
if (i >= N) {
kin_ref.setMultiplier(i, 0);
} else {
kin_ref.setMultiplier(i, 1);
}
}
p.setState_TPX(1200, 5*OneAtm, X);
p_ref.setState_TPX(1200, 5*OneAtm, X);
vector_fp k(kin.nReactions()), k_ref(kin_ref.nReactions());
vector_fp w(kin.nTotalSpecies()), w_ref(kin_ref.nTotalSpecies());
kin.getFwdRateConstants(k.data());
kin_ref.getFwdRateConstants(k_ref.data());
for (size_t i = 0; i < kin.nReactions(); i++) {
EXPECT_DOUBLE_EQ(k_ref[i], k[i]) << "i = " << i << "; N = " << N;
}
kin.getFwdRatesOfProgress(k.data());
kin_ref.getFwdRatesOfProgress(k_ref.data());
for (size_t i = 0; i < kin.nReactions(); i++) {
EXPECT_DOUBLE_EQ(k_ref[i], k[i]) << "i = " << i << "; N = " << N;
}
kin.getRevRateConstants(k.data());
kin_ref.getRevRateConstants(k_ref.data());
for (size_t i = 0; i < kin.nReactions(); i++) {
EXPECT_DOUBLE_EQ(k_ref[i], k[i]) << "i = " << i << "; N = " << N;
}
kin.getRevRatesOfProgress(k.data());
kin_ref.getRevRatesOfProgress(k_ref.data());
for (size_t i = 0; i < kin.nReactions(); i++) {
EXPECT_DOUBLE_EQ(k_ref[i], k[i]) << "i = " << i << "; N = " << N;
}
kin.getCreationRates(w.data());
kin_ref.getCreationRates(w_ref.data());
for (size_t i = 0; i < kin.nTotalSpecies(); i++) {
size_t iref = p_ref.speciesIndex(p.speciesName(i));
EXPECT_DOUBLE_EQ(w_ref[iref], w[i]) << "sp = " << p.speciesName(i) << "; N = " << N;
}
}
TEST_F(ConstructFromScratch, throwUndefindElements)
{
IdealGasPhase p;
p.throwUndefinedElements();
p.addElement("H");
p.addElement("O");
p.addSpecies(sH2O);
p.addSpecies(sH2);
ASSERT_EQ((size_t) 2, p.nSpecies());
p.addSpecies(sO2);
p.addSpecies(sOH);
ASSERT_EQ((size_t) 4, p.nSpecies());
ASSERT_EQ("H2", p.speciesName(1));
ASSERT_EQ(2, p.nAtoms(2, 1)); // O in O2
ASSERT_EQ(2, p.nAtoms(0, 0)); // H in H2O
ASSERT_THROW(p.addSpecies(sCO), CanteraError);
}
