Homec4science
Diffusion SpecMiCP / ReactMiCP (specmicp_bin) Browse

specmicp/tests/database/database_unknown.cpp
5a5d1f0d9096specmicp_bin

Last Change
Raw File

database_unknown.cpp
View Options

#include "catch.hpp"
#include "database/yaml_reader.hpp"
#include "database/unknown_class.hpp"
#include "str_database.hpp"
using namespace specmicp;
using namespace specmicp::database;
TEST_CASE("unknown aqueous")
{
std::istringstream input(good_test_database);
DataReaderYaml reader(input);
auto data = reader.get_database();
SECTION("Find aqueous class")
{
CHECK(find_aqueous_species_class(data, "C1[-]") == AqueousSpeciesClass::Component);
CHECK(find_aqueous_species_class(data, "A1") == AqueousSpeciesClass::Aqueous);
CHECK(find_aqueous_species_class(data, "Comp1") == AqueousSpeciesClass::Compound);
CHECK(find_aqueous_species_class(data, "plop") == AqueousSpeciesClass::Invalid);
}
SECTION("Find aqueous")
{
GenericAqueousSpecies aq_class = find_aqueous_species(data, "C1[-]");
CHECK(aq_class.type == AqueousSpeciesClass::Component);
CHECK(aq_class.id == 2);
aq_class = find_aqueous_species(data, "A1");
CHECK(aq_class.type == AqueousSpeciesClass::Aqueous);
CHECK(aq_class.id == 0);
aq_class = find_aqueous_species(data, "Comp1");
CHECK(aq_class.type == AqueousSpeciesClass::Compound);
CHECK(aq_class.id == 0);
aq_class = find_aqueous_species(data, "plop");
CHECK(aq_class.type == AqueousSpeciesClass::Invalid);
CHECK(aq_class.id == no_species);
}
SECTION("Molar mass aqueous")
{
CHECK(molar_mass_aqueous(data, "C3") == Approx(4.0e-3));
CHECK(molar_mass_aqueous(data, "A3[-]") == Approx(6.0e-3));
CHECK(molar_mass_aqueous(data, "Comp1") == Approx(6.0e-3));
CHECK_THROWS_AS(molar_mass_aqueous(data, "plop"), InvalidGenericAqueousSpecies);
}
SECTION("Find solid phase claass")
{
CHECK(find_solid_phase_class(data, "M1") == SolidPhaseClass::EquilibriumMineral);
CHECK(find_solid_phase_class(data, "MK1") == SolidPhaseClass::MineralKinetics);
CHECK(find_solid_phase_class(data, "plip") == SolidPhaseClass::Invalid);
}
SECTION("Find solid phase")
{
GenericSolidPhase sol_class = find_solid_phase(data, "M2");
CHECK(sol_class.type == SolidPhaseClass::EquilibriumMineral);
CHECK(sol_class.id == 1);
sol_class = find_solid_phase(data, "MK1");
CHECK(sol_class.type == SolidPhaseClass::MineralKinetics);
CHECK(sol_class.id == 0);
sol_class = find_solid_phase(data, "plip");
CHECK(sol_class.type == SolidPhaseClass::Invalid);
CHECK(sol_class.id == no_species);
}
SECTION("Molar mass solid")
{
CHECK(molar_mass_solid_phase(data, "M1") == Approx(5e-3));
CHECK(molar_mass_solid_phase(data, "MK1") == Approx(13e-3));
CHECK_THROWS_AS(molar_mass_solid_phase(data, "plip"), InvalidSolidPhase);
}
SECTION("Molar volume solid")
{
CHECK(molar_volume_solid_phase(data, "M1") == Approx(10e-6));
CHECK(molar_volume_solid_phase(data, "MK1") == Approx(30e-6));
CHECK_THROWS_AS(molar_volume_solid_phase(data, "plip"), InvalidSolidPhase);
}
}
c4science · Help