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#include <catch.hpp>



#include "chemfiles.hpp"

#include "chemfiles/Atom.hpp"

using namespace chemfiles;





TEST_CASE("Use the Atom type", "[Atoms]"){

    Atom a1("H");

    Atom a2 = Atom();

    Atom a3(Atom::COARSE_GRAINED, "CH4");

    Atom a4("W");



    SECTION("Check constructors"){

        CHECK(a1.name() == "H");

        CHECK(a1.mass() == 1.008f);

        CHECK(a1.type() == Atom::ELEMENT);

        CHECK(a1.charge() == 0);



        CHECK(a2.type() == Atom::UNDEFINED);

        CHECK(a2.name() == "");

        CHECK(a2.mass() == 0);

        CHECK(a2.charge() == 0);



        CHECK(a3.type() == Atom::COARSE_GRAINED);

        CHECK(a3.name() == "CH4");

        CHECK(a3.mass() == 0);

        CHECK(a3.charge() == 0);

    }



    SECTION("Set and get properties"){

        a1.set_type(Atom::DUMMY);

        CHECK(a1.type() == Atom::DUMMY);



        a1.set_mass(14.789f);

        CHECK(a1.mass() == 14.789f);



        a1.set_charge(-2);

        CHECK(a1.charge() == -2);



        a1.set_name("foo");

        CHECK(a1.name() == "foo");



        CHECK(a4.mass() == 183.84f);

        CHECK(a4.atomic_number() == 74);

        CHECK(a4.full_name() == "Tungsten");

        CHECK(a4.covalent_radius() == 1.46f);

        CHECK(a4.vdw_radius() == 2.1f);



        CHECK(a3.atomic_number() == -1);

        CHECK(a3.full_name() == "");

        CHECK(a3.covalent_radius() == -1.0f);

        CHECK(a3.vdw_radius() == -1.0f);

    }

}