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specmicp/tests/database/database_reader.cpp
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database_reader.cpp
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#include "catch.hpp"
#include "database/reader.hpp"
TEST_CASE("Database reader", "[Database, readeer, jsoncpp]")
{
SECTION("Equation Parsing")
{
std::map<std::string, specmicp::scalar_t> compo;
std::string eq = "A, 2 B, -C, -3D, SDF, - 3 de, - X";
specmicp::database::parse_equation(eq, compo);
CHECK(compo["A"] == 1);
CHECK(compo["B"] == 2);
CHECK(compo["C"] == -1);
CHECK(compo["D"] == -3);
CHECK(compo["SDF"] == 1);
CHECK(compo["de"] == -3);
CHECK(compo["X"] == -1);
}
SECTION("Charge parsing")
{
CHECK(specmicp::database::charge_from_label("neutral") == 0);
CHECK(specmicp::database::charge_from_label("neutral[]") == 0);
CHECK(specmicp::database::charge_from_label("charge[+]") == 1);
CHECK(specmicp::database::charge_from_label("charge[-]") == -1);
CHECK(specmicp::database::charge_from_label("charge[2]") == 2);
CHECK(specmicp::database::charge_from_label("charge[2-]") == -2);
CHECK(specmicp::database::charge_from_label("charge[2+]") == +2);
CHECK(specmicp::database::charge_from_label("charge[-3]") == -3);
CHECK(specmicp::database::charge_from_label("charge[+1]") == +1);
CHECK_THROWS_AS(specmicp::database::charge_from_label("charge[+3"), specmicp::database::db_invalid_syntax);
CHECK_THROWS_AS(specmicp::database::charge_from_label("charge[ddd]"), specmicp::database::db_invalid_syntax);
}
SECTION("Test reader")
{
specmicp::database::DataReader reader(TEST_DATABASE_PATH);
REQUIRE_NOTHROW(reader.parse());
specmicp::database::DataReader reader2("does_not_exist");
REQUIRE_THROWS_AS(reader2.parse(), std::invalid_argument);
}
SECTION("Test parsing")
{
specmicp::database::DataReader reader(TEST_DATABASE_PATH);
REQUIRE_NOTHROW(reader.parse());
std::shared_ptr<specmicp::database::DataContainer> thedata = reader.get_database();
// Check basic numbering
REQUIRE(thedata->nb_component > 0);
CHECK(thedata->nb_component == thedata->labels_basis.size());
CHECK(thedata->nb_component == thedata->_molar_mass_basis.size());
CHECK(thedata->nb_aqueous == thedata->labels_aqueous.size());
CHECK(thedata->nb_aqueous == thedata->logk_aqueous.rows());
CHECK(thedata->nb_aqueous == thedata->nu_aqueous.rows());
CHECK((thedata->nb_component + thedata->nb_aqueous) == thedata->nu_aqueous.cols());
CHECK(thedata->nb_mineral == thedata->labels_minerals.size());
CHECK(thedata->nb_mineral == thedata->logk_mineral.rows());
CHECK(thedata->nb_mineral == thedata->nu_mineral.rows());
CHECK((thedata->nb_component + thedata->nb_aqueous) == thedata->nu_mineral.cols());
}
}
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