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specmicp/tests/specmicp_database/database_unknown.cpp
166fda7bb141chloride

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database_unknown.cpp
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#include "catch.hpp"
#include "specmicp_database/yaml_reader.hpp"
#include "specmicp_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")
{
SpeciesTypeFinder fd(data);
CHECK(fd.find_aqueous_species_class("C1[-]") == AqueousSpeciesClass::Component);
CHECK(fd.find_aqueous_species_class("A1") == AqueousSpeciesClass::Aqueous);
CHECK(fd.find_aqueous_species_class("Comp1") == AqueousSpeciesClass::Compound);
CHECK(fd.find_aqueous_species_class("plop") == AqueousSpeciesClass::Invalid);
}
SECTION("Find aqueous")
{
SpeciesTypeFinder fd(data);
GenericAqueousSpecies aq_class = fd.find_aqueous_species("C1[-]");
CHECK(aq_class.type == AqueousSpeciesClass::Component);
CHECK(aq_class.id == 2);
aq_class = fd.find_aqueous_species("A1");
CHECK(aq_class.type == AqueousSpeciesClass::Aqueous);
CHECK(aq_class.id == 0);
aq_class = fd.find_aqueous_species("Comp1");
CHECK(aq_class.type == AqueousSpeciesClass::Compound);
CHECK(aq_class.id == 0);
aq_class = fd.find_aqueous_species("plop");
CHECK(aq_class.type == AqueousSpeciesClass::Invalid);
CHECK(aq_class.id == no_species);
}
SECTION("Molar mass aqueous")
{
SpeciesTypeFinder fd(data);
CHECK(fd.molar_mass_aqueous("C3") == Approx(4.0e-3));
CHECK(fd.molar_mass_aqueous("A3[-]") == Approx(6.0e-3));
CHECK(fd.molar_mass_aqueous("Comp1") == Approx(6.0e-3));
CHECK_THROWS_AS(fd.molar_mass_aqueous("plop"), InvalidGenericAqueousSpecies);
}
SECTION("Find solid phase claass")
{
SpeciesTypeFinder fd(data);
CHECK(fd.find_solid_phase_class("M1") == SolidPhaseClass::EquilibriumMineral);
CHECK(fd.find_solid_phase_class("MK1") == SolidPhaseClass::MineralKinetics);
CHECK(fd.find_solid_phase_class("plip") == SolidPhaseClass::Invalid);
}
SECTION("Find solid phase")
{
SpeciesTypeFinder fd(data);
GenericSolidPhase sol_class = fd.find_solid_phase("M2");
CHECK(sol_class.type == SolidPhaseClass::EquilibriumMineral);
CHECK(sol_class.id == 1);
sol_class = fd.find_solid_phase("MK1");
CHECK(sol_class.type == SolidPhaseClass::MineralKinetics);
CHECK(sol_class.id == 0);
sol_class = fd.find_solid_phase("plip");
CHECK(sol_class.type == SolidPhaseClass::Invalid);
CHECK(sol_class.id == no_species);
}
SECTION("Molar mass solid")
{
SpeciesTypeFinder fd(data);
CHECK(fd.molar_mass_solid_phase("M1") == Approx(5e-3));
CHECK(fd.molar_mass_solid_phase("MK1") == Approx(13e-3));
CHECK_THROWS_AS(fd.molar_mass_solid_phase("plip"), InvalidSolidPhase);
}
SECTION("Molar volume solid")
{
SpeciesTypeFinder fd(data);
CHECK(fd.molar_volume_solid_phase("M1") == Approx(10e-6));
CHECK(fd.molar_volume_solid_phase("MK1") == Approx(30e-6));
CHECK_THROWS_AS(fd.molar_volume_solid_phase("plip"), InvalidSolidPhase);
}
}
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