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#ifndef GMXAPI_CONTEXT_H
#define GMXAPI_CONTEXT_H
/*! \file
 * \brief Declares classes representing execution context.
 *
 * \author M. Eric Irrgang <ericirrgang@gmail.com>
 * \ingroup gmxapi
 *
 * # Notes on scope
 *
 * Client owns Context and MultiProcessingResources, which exist entirely in client scope.
 *
 * Note that MpiContextManager and Session live in library scope.
 *
 * # MPI-enabled clients
 *
 * When an MPI toolchain is compatible with the GROMACS build
 * (see [#3672](https://gitlab.com/gromacs/gromacs/-/issues/3672)),
 * multi-process clients may determine how processes are allocated to GROMACS
 * simulations by providing Contexts with specific MPI Communicators to
 * createContext(const MultiProcessingResources& resources)
 *
 * MultiProcessingResources is an opaque type of library-internal resources.
 * Clients acquire such resources with the assignResource() template helper.
 * See gmxapi_mpi.h
 */

#include <memory>
#include <string>
#include <vector>

namespace gmxapi
{

class Workflow;
class Session;

/*!
 * \brief Container for arguments passed to the simulation runner.
 *
 * This is part of an implementation that essentially wraps the command line
 * implementation at a high level.
 * \todo Modernize expression and handling of MD user options.
 */
using MDArgs = std::vector<std::string>;

/*!
 * \brief Context implementation abstract base class.
 *
 * Context Implementations depend on the execution environment, hardware resources, and
 * possibly other factors, and so are not constructed directly but by helper functions.
 * Their details are not exposed at the high level API.
 * \ingroup gmxapi
 */
class ContextImpl;

/*!
 * \brief Execution context.
 *
 * The execution context represents computing resources and zero, one, or more
 * workflows to execute. All API objects exist in some context, which determines
 * how the API objects interact underneath the hood.
 *
 * A proxy can be configured with information needed to initialize a runtime
 * environment capable of executing a work load, independently of defining the
 * work.
 * The actual execution
 * environment is not necessarily instantiated / configured until the work is
 * performed.
 * Thus, construction of a Context object does not necessarily imply
 * initialization of compute resources, but any active compute resources are
 * appropriately deinitialized when the object is destroyed. However, to allow
 * opportunities for exception handling, resources should be deinitialized when
 * and as work is completed by the Runner.
 *
 * Ultimately, the class in this header file should just define an interface.
 * Implementations for different execution environments will be provided by the
 * library or extension code and documented separately,
 * and it should be straight-forward to
 * write extension code for other execution environments.
 *
 * \todo Further encapsulate resource state transitions with Session objects.
 *
 * \ingroup gmxapi
 */
class Context
{
public:
    /*!
     * \brief Get a handle to a new default context object.
     */
    Context() = delete;
    ~Context();

    /*!
     * \brief Nearly trivial copy
     *
     * \{
     */
    Context(const Context&) = default;
    Context& operator=(const Context&) = default;
    //! \}

    /*!
     * \brief Allow move
     *
     * \{
     */
    Context(Context&&) = default;
    Context& operator=(Context&&) = default;
    //! \}

    /*!
     * \brief Construct by wrapping an implementation object.
     *
     * \param impl Ownership of Context definition and resources.
     */
    explicit Context(std::shared_ptr<ContextImpl> impl);

    /*!
     * \brief Set the simulation runtime arguments for this instance.
     *
     * \param mdArgs User-provided runtime parameters (such as for `gmx mdrun`)
     *
     * This is awkwardly named and due for some evolution, since most of the mdrun CLI options
     * pertain to the execution environment rather than the simulation parameters. For the first
     * implementation, we just map user arguments to the equivalent command-line substrings.
     */
    void setMDArgs(const MDArgs& mdArgs);

    /*!
     * \brief Launch a workflow in the current context, if possible.
     *
     * \param work Configured workflow to instantiate.
     * \return Ownership of a new session or nullptr if not possible.
     */
    std::shared_ptr<Session> launch(const Workflow& work);

private:
    /*!
     * \brief Private implementation
     *
     * Early implementation has not yet developed distinct handle classes
     * for different levels of access to the Context. In this implementation,
     * new Context handles to the same resources can be created (in library code)
     * by constructing from a smart pointer to an implementation object.
     *
     * \todo Consider client requirements and ownership contracts.
     * Whether/how API client might be required to create and hold a Context
     * and/or Session object for the length of a process.
     */
    std::shared_ptr<ContextImpl> impl_;
};

// Forward declaration for interoperation with the library.
// Client code implements a concrete ResourceAssignment indirectly by instantiating
// assignResource() through the gmxapi_mpi.h template header.
class ResourceAssignment;

// See template header gmxapi_mpi.h
template<typename CommT>
std::unique_ptr<ResourceAssignment> assignResource(CommT communicator);

/*!
 * \brief Initialize a new API Context to manage resources and software environment.
 *
 * The client is responsible for keeping the Context instance alive for at least
 * as long as any API objects initialized from it. We allow this responsibility
 * to be placed on the client (rather than using a global Singleton) because the
 * library is theoretically reentrant, and multiple Context objects may exist.
 *
 * Client may explicitly assign run time computing resources for use within the Context.
 * Otherwise, the library will try to automatically detect and allocate computing resources.
 *
 * Currently, only MPI communication scope can be assigned explicitly.
 * Future development is needed before this interface can influence the subdivision
 * of available GPUs or thread-based processor allocation. See #3650 and #3688.
 *
 * \return Initialized Context instance.
 *
 * \internal
 * Use cases:
 *
 * 1. tMPI and client-provided comm: provide a place for safety checks, then construct a suitable
 * dummy MpiContextManager.
 * 2. tMPI and no client-provided comm: construct suitable dummy MpiContextManager
 * 3. MPI and client-provided comm: use compatible comm. error if COMM_NULL
 * 4. MPI and no client-provided comm: generate MpiContextManager with COMM_WORLD
 *
 */
Context createContext();
Context createContext(const ResourceAssignment& resources);

} // end namespace gmxapi

#endif // header guard
