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specmicp/tests/database/database_selector.cpp
327e2020bb5cdatabase

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database_selector.cpp
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#include "catch.hpp"
#include "database/database.hpp"
#include "database/selector.hpp"
using namespace specmicp;
TEST_CASE("DatabaseSelector", "[Database, Component]")
{
SECTION("Remove a component")
{
specmicp::database::Database database(TEST_DATABASE_PATH);
database.make_canonical();
std::shared_ptr<specmicp::database::DataContainer> data = database.get_database();
const index_t component_to_remove = 2;
const index_t nb_component_orig = data->nb_component;
const std::string label_component_removed = data->labels_basis[component_to_remove];
index_t aqueous_to_remove = 0;
for (index_t aqueous: data->range_aqueous())
{
if (data->nu_aqueous(aqueous, component_to_remove) != 0.0)
++aqueous_to_remove;
}
const index_t new_nb_aqueous = data->nb_aqueous - aqueous_to_remove;
index_t mineral_to_remove = 0;
for (index_t mineral: data->range_mineral())
{
if (data->nu_mineral(mineral, component_to_remove) != 0.0)
++mineral_to_remove;
}
const index_t new_nb_mineral = data->nb_mineral - mineral_to_remove;
index_t mineral_kinetic_to_remove = 0;
for (index_t mineral_kinetic: data->range_mineral_kinetic())
{
if (data->nu_mineral_kinetic(mineral_kinetic, component_to_remove) != 0.0)
++mineral_kinetic_to_remove;
}
const index_t new_nb_mineral_kinetic = data->nb_mineral_kinetic - mineral_kinetic_to_remove;
specmicp::database::DatabaseSelector selector(data);
selector.remove_component(std::vector<specmicp::index_t>({2}));
REQUIRE(data->nb_component == nb_component_orig -1);
// The component is not present anymore
auto it = std::find(data->labels_basis.begin(), data->labels_basis.end(), label_component_removed);
REQUIRE(it == data->labels_basis.end());
// Corresponding species have been removed
CHECK(new_nb_aqueous == data->nb_aqueous);
CHECK(new_nb_mineral == data->nb_mineral);
CHECK(new_nb_mineral_kinetic == data->nb_mineral_kinetic);
// the data containers should be resized correctly;
CHECK(data->nu_aqueous.cols() == data->nb_component);
CHECK(data->nu_mineral.cols() == data->nb_component);
CHECK(data->nu_mineral_kinetic.cols() == data->nb_component);
}
}
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