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/*! \internal \file
 *
 * \brief Tests routines in neldermead.h .
 *
 * \author Christian Blau <blau@kth.se>
 */

#include "gmxpre.h"

#include "gromacs/math/optimization.h"

#include <vector>

#include <gtest/gtest.h>

#include "gromacs/math/functions.h"

#include "testutils/testasserts.h"

namespace gmx
{
namespace test
{
namespace
{

real mcCormick(ArrayRef<const real> x)
{
    return std::sin(x[0] + x[1]) + square(x[0] - x[1]) - 1.5_real * x[0] + 2.5_real * x[1] + 1._real;
}

struct RosenBrock3d
{
    real operator()(ArrayRef<const real> x)
    {
        return 100 * square(x[1] - square(x[0])) + square(1 - x[0])
               + 100 * square(x[2] - square(x[1])) + square(1 - x[1]);
    }
};

TEST(NelderMead, Optimizes2DFunctionCorrectly)
{
    std::vector<real> initalPoint = { 1, 1 };
    auto              result      = nelderMead(mcCormick, initalPoint);
    EXPECT_REAL_EQ_TOL(result.functionValue_, -1.91329, relativeToleranceAsFloatingPoint(1, 5e-5));

    initalPoint = { 0, 0 };
    result      = nelderMead(mcCormick, initalPoint);
    EXPECT_REAL_EQ_TOL(result.functionValue_, -1.91329, relativeToleranceAsFloatingPoint(1, 5e-5));
}

TEST(NelderMead, Optimizes3DFunctorCorrectly)
{
    std::vector<real> initalPoint = { 0, 0, 0 };
    auto              result      = nelderMead(RosenBrock3d(), initalPoint);
    EXPECT_REAL_EQ_TOL(result.coordinates_[0], 1.00, relativeToleranceAsFloatingPoint(1, 1e-6));
    EXPECT_REAL_EQ_TOL(result.coordinates_[1], 1.00, relativeToleranceAsFloatingPoint(1, 2e-6));
    EXPECT_REAL_EQ_TOL(result.coordinates_[2], 1.00, relativeToleranceAsFloatingPoint(1, 5e-6));
    EXPECT_REAL_EQ_TOL(result.functionValue_, 0, relativeToleranceAsFloatingPoint(1, 1e-7));
}

} // namespace
} // namespace test
} // namespace gmx
