//! iRef is the index of the corresponding reaction in the reference mech
void check_rates(int iRef) {
ASSERT_EQ((size_t) 1, kin.nReactions());
std::string X = "O:0.02 H2:0.2 O2:0.5 H:0.03 OH:0.05 H2O:0.1 HO2:0.01";
p.setState_TPX(1200, 5*OneAtm, X);
p_ref.setState_TPX(1200, 5*OneAtm, X);
vector_fp k(1), k_ref(kin_ref.nReactions());
kin.getFwdRateConstants(&k[0]);
kin_ref.getFwdRateConstants(&k_ref[0]);
EXPECT_DOUBLE_EQ(k_ref[iRef], k[0]);
kin.getRevRateConstants(&k[0]);
kin_ref.getRevRateConstants(&k_ref[0]);
EXPECT_DOUBLE_EQ(k_ref[iRef], k[0]);
}
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;
}
}
//! iRef is the index of the corresponding reaction in the reference mech
void check_rates(int iRef) {
ASSERT_EQ((size_t) 1, kin.nReactions());
std::string X = "H2:0.2 O2:0.5 H2O:0.1 N2:0.2";
std::string Xs = "H(m):0.1 O(m):0.2 OH(m):0.3 (m):0.4";
gas.setState_TPX(1200, 5*OneAtm, X);
gas_ref.setState_TPX(1200, 5*OneAtm, X);
surf.setState_TP(1200, 5*OneAtm);
surf_ref.setState_TP(1200, 5*OneAtm);
surf.setCoveragesByName(Xs);
surf_ref.setCoveragesByName(Xs);
vector_fp k(1), k_ref(kin_ref.nReactions());
kin.getFwdRateConstants(&k[0]);
kin_ref.getFwdRateConstants(&k_ref[0]);
EXPECT_DOUBLE_EQ(k_ref[iRef], k[0]);
kin.getRevRateConstants(&k[0]);
kin_ref.getRevRateConstants(&k_ref[0]);
EXPECT_DOUBLE_EQ(k_ref[iRef], k[0]);
}