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 */
#include <memory>

#include "gromacs/math/vectypes.h"
#include "gromacs/restraint/restraintpotential.h"
#include "gromacs/utility/arrayref.h"

#include "gmxapi/context.h"
#include "gmxapi/md.h"
#include "gmxapi/md/mdmodule.h"
#include "gmxapi/session.h"
#include "gmxapi/status.h"
#include "gmxapi/system.h"

#include "testingconfiguration.h"

namespace gmxapi
{

namespace testing
{

namespace
{

/*!
 * \brief Restraint that does nothing other than note whether it has been used.
 */
class NullRestraint : public gmx::IRestraintPotential
{
public:
    /*! \cond Implement IRestraintPotential */
    gmx::PotentialPointData evaluate(gmx::Vector /*  r1 */, gmx::Vector /*  r2 */, double /*   t */) override
    {
        hasBeenCalled_ = true;
        return { { 0., 0., 0. }, 0. };
    }

    std::vector<int> sites() const override { return { { 0, 1 } }; }

    void bindSession(gmxapi::SessionResources* /* resources */) override {}
    //! \endcond

    /*!
     * \brief Check whether the restraint has been called as an IForceProvider.
     *
     * \return false until restraint is used in MD loop, then true.
     */
    bool hasBeenCalled() const { return hasBeenCalled_; }

private:
    //! State: false until after the first call to evaluate()
    bool hasBeenCalled_ = false;
};

/*!
 * \brief Wrap a NullRestraint for testing purposes.
 */
class SimpleApiModule : public gmxapi::MDModule
{
public:
    /*! \cond
     * Implement gmxapi::MDModule interface.
     */
    SimpleApiModule() : restraint_(std::make_shared<NullRestraint>()) {}

    const char* name() const override { return "SimpleApiModule"; }

    std::shared_ptr<gmx::IRestraintPotential> getRestraint() override { return restraint_; }
    //! \endcond

    /*!
     * \brief Check whether the restraint has been called as an IForceProvider.
     *
     * \return false until restraint is used in MD loop, then true.
     */
    bool hasBeenCalled() const { return restraint_->hasBeenCalled(); }

private:
    //! restraint to provide to client or MD simulator, as well as to use to implement hasBeenCalled.
    std::shared_ptr<NullRestraint> restraint_;
};

/*!
 * \brief Check that we can attach a restraint and have it called.
 */
TEST_F(GmxApiTest, ApiRunnerRestrainedMD)
{
    makeTprFile(2);
    auto system = gmxapi::fromTprFile(runner_.tprFileName_);

    {
        auto           context = std::make_shared<gmxapi::Context>(gmxapi::createContext());
        gmxapi::MDArgs args    = makeMdArgs();

        context->setMDArgs(args);

        auto restraint = std::make_shared<SimpleApiModule>();

        auto session = system.launch(context);
        EXPECT_TRUE(session != nullptr);
        EXPECT_EQ(restraint->hasBeenCalled(), false);

        gmxapi::addSessionRestraint(session.get(), restraint);
        gmxapi::Status status;
        ASSERT_NO_THROW(status = session->run());
        EXPECT_TRUE(status.success());
        EXPECT_EQ(restraint->hasBeenCalled(), true);

        status = session->close();
        EXPECT_TRUE(status.success());
        EXPECT_EQ(restraint->hasBeenCalled(), true);
    }
}

} // end anonymous namespace

} // end namespace testing

} // end namespace gmxapi
