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#include "catch.hpp"



#include "Chemharp.hpp"

#include "chemharp/Frame.hpp"

#include "chemharp/UnitCell.hpp"



using namespace harp;



TEST_CASE("Frame class usage", "[Frame]"){

    auto frame = Frame(10);



    SECTION("Contructor"){

        CHECK(frame.positions().capacity() == 10);

        CHECK(frame.cell().type() == UnitCell::INFINITE);

    }



    SECTION("Get and set"){

        CHECK(frame.step() == 0);

        frame.step(1000);

        CHECK(frame.step() == 1000);



        frame.cell(UnitCell(10));

        CHECK(frame.cell().type() == UnitCell::ORTHOROMBIC);



        CHECK(frame.topology().natom_types() == 0);

        frame.topology().append(Atom("H"));

        CHECK(frame.topology().natom_types() == 1);



        frame.resize(15);

        CHECK(frame.natoms() == 15);

        // No velocity data yet

        CHECK_FALSE(frame.has_velocities());



        frame.resize(15, true);

        CHECK(frame.has_velocities());



        frame.positions()[0] = Vector3D(1, 2, 3);

        CHECK(frame.positions()[0] == Vector3D(1, 2, 3));

        frame.velocities()[0] = Vector3D(5, 6, 7);

        CHECK(frame.velocities()[0] == Vector3D(5, 6, 7));



        auto mat = new float[15][3];

        frame.raw_positions(mat, 15);

        CHECK(mat[0][0] == 1);

        CHECK(mat[0][1] == 2);

        CHECK(mat[0][2] == 3);



        frame.raw_velocities(mat, 15);

        CHECK(mat[0][0] == 5);

        CHECK(mat[0][1] == 6);

        CHECK(mat[0][2] == 7);



        delete[] mat;



        Array3D data;

        for (size_t i=0; i<10; i++)

            data.push_back(Vector3D(4.f, 3.4f, 1.f));

        frame.positions(data);

        frame.velocities(data);



        auto positions = frame.positions();

        auto velocities = frame.velocities();



        for (size_t i=0; i<10; i++){

            CHECK(positions[i] == Vector3D(4.f, 3.4f, 1.f));

            CHECK(velocities[i] == Vector3D(4.f, 3.4f, 1.f));

        }

    }



    SECTION("Errors"){

        auto mat = new float[3][3];



        CHECK_THROWS_AS(frame.raw_positions(mat, 3), MemoryError);



        // This is not throwing, but only filling the array with zeroes

        frame.raw_velocities(mat, 3);

        for (size_t i=0; i<3; i++)

            for (size_t j=0; j<3; j++)

                CHECK(mat[i][j] == 0);



        frame.resize(10, true);

        CHECK_THROWS_AS(frame.raw_velocities(mat, 3), MemoryError);

        delete[] mat;

    }



    SECTION("Guess bonds"){

        Trajectory file(SRCDIR "/data/xyz/methane.xyz");



        file >> frame;

        frame.guess_topology();



        auto topology =  frame.topology();

        for (size_t i=1; i<5; i++){

            CHECK(topology.isbond(0, i));

        }



        CHECK_FALSE(topology.isbond(2, 4));

        CHECK_FALSE(topology.isbond(1, 2));



        CHECK(topology.isangle(1, 0, 2));

        CHECK(topology.isangle(3, 0, 2));

        CHECK(topology.isangle(2, 0, 4));



        CHECK(topology.bonds().size() == 4);

    }

}