cantera/test/kinetics/kineticsFromYaml.cpp

28 lines
998 B
C++

#include "gtest/gtest.h"
#include "cantera/base/Units.h"
#include "cantera/IdealGasMix.h"
using namespace Cantera;
TEST(Reaction, ElementaryFromYaml)
{
// @TODO: Use of XML input files in these tests of the YAML format needs to
// be eliminated before we can deprecate the XML format.
IdealGasMix gas("gri30.xml");
AnyMap rxn = AnyMap::fromYamlString(
"{equation: N + NO <=> N2 + O,"
" rate-constant: [-2.70000E+13 cm^3/mol/s, 0, 355 cal/mol],"
" negative-A: true}");
UnitSystem U;
auto R = newReaction(rxn, gas, U);
EXPECT_EQ(R->reactants.at("NO"), 1);
EXPECT_EQ(R->products.at("N2"), 1);
EXPECT_EQ(R->reaction_type, ELEMENTARY_RXN);
auto ER = dynamic_cast<ElementaryReaction&>(*R);
EXPECT_DOUBLE_EQ(ER.rate.preExponentialFactor(), -2.7e10);
EXPECT_DOUBLE_EQ(ER.rate.activationEnergy_R(), 355 / GasConst_cal_mol_K);
EXPECT_TRUE(ER.allow_negative_pre_exponential_factor);
EXPECT_FALSE(ER.allow_negative_orders);
}