database_cemdata.cpp
d8b65021bdf9oxydoreduc

database_cemdata.cpp
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			#include "catch.hpp"
			#include "database/database.hpp"

			#include "utils/timer.hpp"
			#include <iostream>

			using namespace specmicp;
			using namespace specmicp::database;

			TEST_CASE("Cemdata database", "[Cemdata],[Reader],[Selector]")
			{
			Timer reader_timer;
			Database the_database(TEST_CEMDATA_PATH);
			reader_timer.stop();

			std::cout << "Reading cemdata database : " << reader_timer.elapsed_time()*1000 << "ms (Ref 2ms)" << std::endl;

			RawDatabasePtr raw_data = the_database.get_database();

			SECTION("Reading")
			{
			REQUIRE(the_database.is_valid());
			}

			SECTION("Oxydo-reduction")
			{
			Timer oxy_timer;
			the_database.remove_half_cell_reactions({"SO4[2-]"});
			oxy_timer.stop();

			std::cout << "Removing half cell reactions for SO4[2-] : " << oxy_timer.elapsed_time()*1000<< "ms (Ref 0.06ms)" << std::endl;

			REQUIRE(the_database.is_valid());
			REQUIRE(the_database.aqueous_label_to_id("HS[-]") == no_species);
			REQUIRE(the_database.gas_label_to_id("H2S(g)") == no_species);
			}
			}