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/*
* This file is part of the GROMACS molecular simulation package.
*
* Copyright 2018- The GROMACS Authors
* and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
* Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
*
* GROMACS is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public
* License along with GROMACS; if not, see
* https://www.gnu.org/licenses, or write to the Free Software Foundation,
* Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
* If you want to redistribute modifications to GROMACS, please
* consider that scientific software is very special. Version
* control is crucial - bugs must be traceable. We will be happy to
* consider code for inclusion in the official distribution, but
* derived work must not be called official GROMACS. Details are found
* in the README & COPYING files - if they are missing, get the
* official version at https://www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out https://www.gromacs.org.
*/
#ifndef GMXAPI_SYSTEM_IMPL_H
#define GMXAPI_SYSTEM_IMPL_H
/*! \file
* \brief Declare implementation details for gmxapi::System.
*
* \author M. Eric Irrgang <ericirrgang@gmail.com>
* \ingroup gmxapi
*/
#include <string>
#include "gmxapi/system.h"
namespace gmxapi
{
class Context;
class Workflow;
/*!
* \brief Private implementation for gmxapi::System
*
* \ingroup gmxapi
*/
class System::Impl final
{
public:
/*! \cond */
~Impl();
Impl(Impl&& /*unused*/) noexcept;
Impl& operator=(Impl&& source) noexcept;
/*! \endcond */
/*!
* \brief Initialize from a work description.
*
* \param workflow Simulation work to perform.
*/
explicit Impl(std::unique_ptr<gmxapi::Workflow> workflow) noexcept;
/*!
* \brief Launch the configured simulation.
*
* \param context Runtime execution context in which to run simulation.
* \return Ownership of a new simulation session.
*
* The session is returned as a shared pointer so that the Context can
* maintain a weak reference to it via std::weak_ptr.
*/
std::shared_ptr<Session> launch(const std::shared_ptr<Context>& context);
//! Description of simulation work.
std::shared_ptr<Workflow> workflow_;
/*!
* \brief Specified simulation work.
*
* \todo merge Workflow and MDWorkSpec
*/
std::shared_ptr<gmxapi::MDWorkSpec> spec_;
};
} // end namespace gmxapi
#endif // header guard
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