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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_MDSIGNALS_IMPL_H
#define GMXAPI_MDSIGNALS_IMPL_H
/*! \file
* \brief Implementation details for gmxapi::Signal and related gmxapi::md infrastructure.
*
* \ingroup gmxapi_md
*/
#include <atomic>
#include <functional>
#include <map>
#include <memory>
#include <string>
#include "gromacs/mdlib/simulationsignal.h"
#include "gromacs/mdlib/stophandler.h"
#include "gromacs/mdrun/runner.h"
// Public gmxapi headers.
#include "gmxapi/md/mdsignals.h"
#include "gmxapi/session.h"
// Internal gmxapi headers.
#include "session_impl.h"
namespace gmxapi
{
/*! \internal
* \brief The Signal Implementation interface.
*
* A SignalImpl concrete class must implement a `call()` method that issues the signal.
*
* \ingroup gmxapi_md
*/
class Signal::SignalImpl
{
public:
//! Required functor behavior.
virtual void call() = 0;
//! May be subclassed.
virtual ~SignalImpl() = default;
};
/*!
* \brief Manage signal paths exposed through session resources to gmxapi operations.
*
* Manages signals for a single gmx::Mdrunner. Currently only supports a stop signal that
* is required to be issued by all registered possible issuers before the signal is sent to
* the associated runner. This is not what we want in the long run.
* \todo This class should handle signal inputs to operations that take signals as input (like
* Mdrunner) and \todo should allow multiple subscribers. For additional signal processing, such as
* boolean operations, additional operations should be inserted in a chain.
*
* SignalManager objects are created during Session launch and are owned exclusively by session
* implementation objects. If Session::isOpen() is true, the SignalManager should still be valid,
* but the intended use case is that SignalManager handles should be retrieved immediately before
* use by implementation code within the library with SessionImpl::getSignalManager().
*
* A SignalManager should be created for each signal consumer (each gmx::Mdrunner) in a Session.
* This occurs in the SessionImpl::create() function.
*
* \ingroup gmxapi_md
*/
class SignalManager
{
public:
/*!
* \brief Set up a manager to mediate access to an upcoming MD stop handler.
*
* \param mdStopHandlerBuilder access to a builder that can be used during construction.
*/
explicit SignalManager(gmx::StopHandlerBuilder* mdStopHandlerBuilder);
//! \cond
~SignalManager();
//! \endcond
/*!
* \brief Add a name to the list of operations that will be using this signal.
*/
void addSignaller(const std::string& name);
/*!
* \brief Allow a registered signaller to retrieve a functor.
*
* \param name Registered signal issuer.
* \param signal type of signal the client would like to issue.
* \return Generic Signal object.
*
* \throws gmxapi::ProtocolError if named signaller was not previously registered.
*/
Signal getSignal(const std::string& name, md::signals signal);
/*!
* \brief Signal operation that issues only when all sources have issued.
*
* Implemented as a member class that can access SignalManager's private members.
* \todo Decouple logical operations from SignalManager class definition.
*/
class LogicalAND;
private:
//! Non-owning handle to the associated runner.
gmx::Mdrunner* runner_;
/*!
* \brief State of the stop condition to be returned by the registered MD signaller.
*
* Ownership is shared by the function objects in the StopConditionHandler
* (owned by the simulator), which read the value, and the
* SessionImpl SignalManager, which mediates write access.
*
* The signal state is either gmx::StopSignal::noSignal or gmx::StopSignal::stopAtNextNSStep,
* so atomicity is not important, and we share the state across
* threads in a tMPI simulation.
*/
std::shared_ptr<gmx::StopSignal> state_;
/*!
* \brief Track whether the signal has been issued by each registrant.
*
* \todo This is an implementation detail of LogicalAND that should not be here.
*/
std::map<std::string, std::atomic_bool> called_;
};
} // end namespace gmxapi
#endif // GMXAPI_MDSIGNALS_IMPL_H
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