api/gmxapi/cpp/system_impl.h

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  35 #ifndef GMXAPI_SYSTEM_IMPL_H
  36 #define GMXAPI_SYSTEM_IMPL_H
  37
  38 /*! \file
  39  * \brief Declare implementation details for gmxapi::System.
  40  *
  41  * \author M. Eric Irrgang <ericirrgang@gmail.com>
  42  * \ingroup gmxapi
  43  */
  44
  45 #include <string>
  46
  47 #include "gmxapi/system.h"
  48
  49 namespace gmxapi
  50 {
  51
  52 class Context;
  53 class Workflow;
  54
  55 /*!
  56  * \brief Private implementation for gmxapi::System
  57  *
  58  * \ingroup gmxapi
  59  */
  60 class System::Impl final
  61 {
  62 public:
  63     /*! \cond */
  64     ~Impl();
  65
  66     Impl(Impl&& /*unused*/) noexcept;
  67     Impl& operator=(Impl&& source) noexcept;
  68     /*! \endcond */
  69
  70     /*!
  71      * \brief Initialize from a work description.
  72      *
  73      * \param workflow Simulation work to perform.
  74      */
  75     explicit Impl(std::unique_ptr<gmxapi::Workflow> workflow) noexcept;
  76
  77     /*!
  78      * \brief Launch the configured simulation.
  79      *
  80      * \param context Runtime execution context in which to run simulation.
  81      * \return Ownership of a new simulation session.
  82      *
  83      * The session is returned as a shared pointer so that the Context can
  84      * maintain a weak reference to it via std::weak_ptr.
  85      */
  86     std::shared_ptr<Session> launch(const std::shared_ptr<Context>& context);
  87
  88 private:
  89     //! Description of simulation work.
  90     std::shared_ptr<Workflow> workflow_;
  91
  92     /*!
  93      * \brief Specified simulation work.
  94      *
  95      * \todo merge Workflow and MDWorkSpec
  96      */
  97     std::shared_ptr<gmxapi::MDWorkSpec> spec_;
  98 };
  99
 100 } // end namespace gmxapi
 101
 102 #endif // header guard