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specmicp/tests/database/database_appender.cpp
1bb7dc1f7b06reactmicp/unsaturated

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database_appender.cpp
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#include "catch.hpp"
#include "database/yaml_reader.hpp"
#include "database/appender.hpp"
#include "str_database.hpp"
#include "utils/timer.hpp"
#include <iostream>
#include <sstream>
using namespace specmicp;
using namespace specmicp::database;
static std::string mineral_appendix_database = R"plop(
[
{
"label": "MA1",
"composition": "2 A2[+], A3[-], C1[-]",
"log_k": -10,
"molar_volume": 30.0
},
{
"label": "MKA1",
"composition": "4C3, 3A1",
"log_k": -20,
"molar_volume": 50.0,
"flag_kinetic": 1
}
]
)plop";
static std::string gas_appendix_database = R"plop(
[
{
"label": "GA1",
"composition": "A1",
"log_k": -6
}
]
)plop";
static std::string sorbed_appendix_database = R"plop(
[
{
"label": "SA1",
"composition": "A1",
"log_k": -5,
"nb_sites_occupied": 2
}
]
)plop";
static std::string compounds_appendix_database = R"plop(
[
{
"label": "CompA1",
"composition": "6 H2O, C3"
}
]
)plop";
TEST_CASE("DatabaseAppender", "[Database],[Appender],[Minerals]") {
std::istringstream input(good_test_database);
DataReaderYaml reader(input);
auto data = reader.get_database();
SECTION("Append minerals") {
size_t orig_hash = data->get_hash();
DataAppender appender(data);
appender.add_minerals(mineral_appendix_database, false);
CHECK(data->is_valid());
CHECK(data->get_hash() != orig_hash);
CHECK(data->nb_mineral() == 3);
CHECK(data->nb_mineral_kinetic() == 2);
CHECK(data->get_id_mineral("MA1") == 2);
CHECK(data->get_id_mineral_kinetic("MKA1") == 1);
CHECK(data->nu_mineral(2, 3) == 4.0);
CHECK(data->molar_volume_mineral(2) == 30.0*1e-6);
CHECK(data->molar_mass_mineral_kinetic(1, units::MassUnit::gram) == 31.0);
}
SECTION("Append gas") {
size_t orig_hash = data->get_hash();
DataAppender appender(data);
appender.add_gas(gas_appendix_database, false);
CHECK(data->is_valid());
CHECK(data->get_hash() != orig_hash);
CHECK(data->nb_gas() == 2);
CHECK(data->get_id_gas("GA1") == 1);
CHECK(data->nu_gas(1, 2) == 1);
CHECK(data->nu_gas(1, 3) == 1);
}
SECTION("Append sorbed") {
size_t orig_hash = data->get_hash();
DataAppender appender(data);
appender.add_sorbed(sorbed_appendix_database, false);
CHECK(data->is_valid());
CHECK(data->get_hash() != orig_hash);
CHECK(data->nb_sorbed() == 2);
CHECK(data->get_id_sorbed("SA1") == 1);
CHECK(data->nu_sorbed(1, 2) == 1);
CHECK(data->nu_sorbed(1, 3) == 1);
CHECK(data->nb_sorption_sites(1) == 2);
}
SECTION("Append compounds") {
size_t orig_hash = data->get_hash();
DataAppender appender(data);
appender.add_compounds(compounds_appendix_database, false);
CHECK(data->is_valid());
CHECK(data->get_hash() != orig_hash);
CHECK(data->nb_compounds() == 2);
CHECK(data->get_id_compound("CompA1") == 1);
CHECK(data->nu_compound(1, 0) == 6);
CHECK(data->nu_compound(1, 4) == 1);
}
}
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