*
* @tparam Signaller The signaller to be built
*/
-template <typename Signaller>
+template<typename Signaller>
class SignallerBuilder final
{
- public:
- //! Allows clients to register to the signaller
- void registerSignallerClient(
- compat::not_null<typename Signaller::Client*> client);
-
- //! Build the signaller
- template <typename ... Args>
- std::unique_ptr<Signaller> build(Args && ... args);
-
- private:
- //! List of signaller clients
- std::vector<typename Signaller::Client*> signallerClients_;
-
- //! Helper function to get the callbacks from the clients
- template <typename ... Args>
- std::vector<SignallerCallbackPtr> buildCallbackVector(Args && ... args);
-
- /*! \brief Get a callback from a single client
- *
- * This is in a separate function, as the exact call depends on the
- * specific signaller / client.
- */
- template <typename ... Args>
- SignallerCallbackPtr getSignallerCallback(
- typename Signaller::Client *client,
- Args && ... args);
-
+public:
+ //! Allows clients to register to the signaller
+ void registerSignallerClient(compat::not_null<typename Signaller::Client*> client);
+
+ //! Build the signaller
+ template<typename... Args>
+ std::unique_ptr<Signaller> build(Args&&... args);
+
+private:
+ //! List of signaller clients
+ std::vector<typename Signaller::Client*> signallerClients_;
+
+ //! Helper function to get the callbacks from the clients
+ template<typename... Args>
+ std::vector<SignallerCallbackPtr> buildCallbackVector(Args&&... args);
+
+ /*! \brief Get a callback from a single client
+ *
+ * This is in a separate function, as the exact call depends on the
+ * specific signaller / client.
+ */
+ template<typename... Args>
+ SignallerCallbackPtr getSignallerCallback(typename Signaller::Client* client, Args&&... args);
};
/*! \libinternal
* This element informs its clients via callbacks
* when a neighbor-searching step is happening.
*/
-class NeighborSearchSignaller final :
- public ISignaller
+class NeighborSearchSignaller final : public ISignaller
{
- public:
- /*! \brief Run the signaller at a specific step / time
- *
- * Informs callbacks if step % nstlist_ == 0
- *
- * @param step The current time step
- * @param time The current time
- */
- void signal(Step step, Time time) override;
-
- //! Do nothing at setup time
- void signallerSetup() override {};
-
- //! Allow builder to construct
- friend class SignallerBuilder<NeighborSearchSignaller>;
- //! Define client type
- typedef INeighborSearchSignallerClient Client;
-
- private:
- /*! \brief Constructor
- *
- * @param callbacks A vector of pointers to callbacks
- * @param nstlist The frequency at which neighbor search is performed
- * @param initStep The first step of the simulation
- * @param initTime The start time of the simulation
- */
- NeighborSearchSignaller(
- std::vector<SignallerCallbackPtr> callbacks,
- Step nstlist, Step initStep, Time initTime);
-
- //! Client callbacks
- std::vector<SignallerCallbackPtr> callbacks_;
-
- //! The NS frequency
- const Step nstlist_;
- //! The initial step of the simulation
- const Step initStep_;
- //! The initial time of the simulation
- const Time initTime_;
+public:
+ /*! \brief Run the signaller at a specific step / time
+ *
+ * Informs callbacks if step % nstlist_ == 0
+ *
+ * @param step The current time step
+ * @param time The current time
+ */
+ void signal(Step step, Time time) override;
+
+ //! Do nothing at setup time
+ void signallerSetup() override{};
+
+ //! Allow builder to construct
+ friend class SignallerBuilder<NeighborSearchSignaller>;
+ //! Define client type
+ typedef INeighborSearchSignallerClient Client;
+
+private:
+ /*! \brief Constructor
+ *
+ * @param callbacks A vector of pointers to callbacks
+ * @param nstlist The frequency at which neighbor search is performed
+ * @param initStep The first step of the simulation
+ * @param initTime The start time of the simulation
+ */
+ NeighborSearchSignaller(std::vector<SignallerCallbackPtr> callbacks, Step nstlist, Step initStep, Time initTime);
+
+ //! Client callbacks
+ std::vector<SignallerCallbackPtr> callbacks_;
+
+ //! The NS frequency
+ const Step nstlist_;
+ //! The initial step of the simulation
+ const Step initStep_;
+ //! The initial time of the simulation
+ const Time initTime_;
};
/*! \libinternal
* This element informs its clients via callbacks
* when the last step is happening.
*/
-class LastStepSignaller final :
- public ISignaller,
- public INeighborSearchSignallerClient
+class LastStepSignaller final : public ISignaller, public INeighborSearchSignallerClient
{
- public:
- /*! \brief Run the signaller at a specific step / time
- *
- * Informs callbacks if this is the last step
- *
- * @param step The current time step
- * @param time The current time
- */
- void signal(Step step, Time time) override;
-
- //! Check that necessary registration was done
- void signallerSetup() override;
-
- //! Allow builder to construct
- friend class SignallerBuilder<LastStepSignaller>;
- //! Define client type
- typedef ILastStepSignallerClient Client;
-
- private:
- /*! \brief Constructor
- *
- * @param callbacks A vector of pointers to callbacks
- * @param nsteps The total number of steps for the simulation
- * @param initStep The first step of the simulation
- * @param stopHandler A pointer to the stop handler (LastStepSignaller takes ownership)
- */
- LastStepSignaller(
- std::vector<SignallerCallbackPtr> callbacks,
- Step nsteps, Step initStep,
- StopHandler* stopHandler);
-
- //! Client callbacks
- std::vector<SignallerCallbackPtr> callbacks_;
-
- //! The last step of the simulation
- const Step stopStep_;
- //! Whether we signalled last step due to stop condition
- bool signalledStopCondition_;
- //! A pointer to the stop handler communicating signal and time-related stops
- StopHandler *stopHandler_;
-
- //! INeighborSearchSignallerClient implementation
- SignallerCallbackPtr registerNSCallback() override;
- //! The next NS step (notified by NS signaller)
- Step nextNSStep_;
- //! Whether we registered to the NS signaller
- bool nsStepRegistrationDone_;
+public:
+ /*! \brief Run the signaller at a specific step / time
+ *
+ * Informs callbacks if this is the last step
+ *
+ * @param step The current time step
+ * @param time The current time
+ */
+ void signal(Step step, Time time) override;
+
+ //! Check that necessary registration was done
+ void signallerSetup() override;
+
+ //! Allow builder to construct
+ friend class SignallerBuilder<LastStepSignaller>;
+ //! Define client type
+ typedef ILastStepSignallerClient Client;
+
+private:
+ /*! \brief Constructor
+ *
+ * @param callbacks A vector of pointers to callbacks
+ * @param nsteps The total number of steps for the simulation
+ * @param initStep The first step of the simulation
+ * @param stopHandler A pointer to the stop handler (LastStepSignaller takes ownership)
+ */
+ LastStepSignaller(std::vector<SignallerCallbackPtr> callbacks,
+ Step nsteps,
+ Step initStep,
+ StopHandler* stopHandler);
+
+ //! Client callbacks
+ std::vector<SignallerCallbackPtr> callbacks_;
+
+ //! The last step of the simulation
+ const Step stopStep_;
+ //! Whether we signalled last step due to stop condition
+ bool signalledStopCondition_;
+ //! A pointer to the stop handler communicating signal and time-related stops
+ StopHandler* stopHandler_;
+
+ //! INeighborSearchSignallerClient implementation
+ SignallerCallbackPtr registerNSCallback() override;
+ //! The next NS step (notified by NS signaller)
+ Step nextNSStep_;
+ //! Whether we registered to the NS signaller
+ bool nsStepRegistrationDone_;
};
/*! \libinternal
* This element informs its clients via callbacks
* when a logging step is happening.
*/
-class LoggingSignaller final :
- public ISignaller,
- public ILastStepSignallerClient
+class LoggingSignaller final : public ISignaller, public ILastStepSignallerClient
{
- public:
- /*! \brief Run the signaller at a specific step / time
- *
- * Informs callbacks if step % nstlog_ == 0
- *
- * @param step The current time step
- * @param time The current time
- */
- void signal(Step step, Time time) override;
-
- //! Check that necessary registration was done
- void signallerSetup() override;
-
- //! Allow builder to construct
- friend class SignallerBuilder<LoggingSignaller>;
- //! Define client type
- typedef ILoggingSignallerClient Client;
-
- private:
- /*! \brief Constructor
- *
- * @param callbacks A vector of pointers to callbacks
- * @param nstlog The logging frequency
- * @param initStep The first step of the simulation
- * @param initTime The start time of the simulation
- */
- LoggingSignaller(
- std::vector<SignallerCallbackPtr> callbacks,
- Step nstlog,
- Step initStep,
- Time initTime);
-
- //! Client callbacks
- std::vector<SignallerCallbackPtr> callbacks_;
-
- //! The logging frequency
- const Step nstlog_;
- //! The initial step of the simulation
- const Step initStep_;
- //! The initial time of the simulation
- const Time initTime_;
-
- //! ILastStepSignallerClient implementation
- SignallerCallbackPtr registerLastStepCallback() override;
- //! The last step (notified by signaller)
- Step lastStep_;
- //! Whether we registered to the last step signaller
- bool lastStepRegistrationDone_;
+public:
+ /*! \brief Run the signaller at a specific step / time
+ *
+ * Informs callbacks if step % nstlog_ == 0
+ *
+ * @param step The current time step
+ * @param time The current time
+ */
+ void signal(Step step, Time time) override;
+
+ //! Check that necessary registration was done
+ void signallerSetup() override;
+
+ //! Allow builder to construct
+ friend class SignallerBuilder<LoggingSignaller>;
+ //! Define client type
+ typedef ILoggingSignallerClient Client;
+
+private:
+ /*! \brief Constructor
+ *
+ * @param callbacks A vector of pointers to callbacks
+ * @param nstlog The logging frequency
+ * @param initStep The first step of the simulation
+ * @param initTime The start time of the simulation
+ */
+ LoggingSignaller(std::vector<SignallerCallbackPtr> callbacks, Step nstlog, Step initStep, Time initTime);
+
+ //! Client callbacks
+ std::vector<SignallerCallbackPtr> callbacks_;
+
+ //! The logging frequency
+ const Step nstlog_;
+ //! The initial step of the simulation
+ const Step initStep_;
+ //! The initial time of the simulation
+ const Time initTime_;
+
+ //! ILastStepSignallerClient implementation
+ SignallerCallbackPtr registerLastStepCallback() override;
+ //! The last step (notified by signaller)
+ Step lastStep_;
+ //! Whether we registered to the last step signaller
+ bool lastStepRegistrationDone_;
};
/*! \libinternal
* - virial calculation step
* - free energy calculation step
*/
-class EnergySignaller final :
- public ISignaller,
- public ITrajectorySignallerClient,
- public ILoggingSignallerClient
+class EnergySignaller final : public ISignaller, public ITrajectorySignallerClient, public ILoggingSignallerClient
{
- public:
- /*! \brief Run the signaller at a specific step / time
- *
- * Informs callbacks of energy / virial / free energy special steps
- *
- * @param step The current time step
- * @param time The current time
- */
- void signal(Step step, Time time) override;
-
- //! Check that necessary registration was done
- void signallerSetup() override;
-
- //! Allow builder to construct
- friend class SignallerBuilder<EnergySignaller>;
- //! Define client type
- typedef IEnergySignallerClient Client;
-
- private:
- /*! \brief Constructor
- *
- * @param calculateEnergyCallbacks A vector of pointers to callbacks (energy steps)
- * @param calculateVirialCallbacks A vector of pointers to callbacks (virial steps)
- * @param calculateFreeEnergyCallbacks A vector of pointers to callbacks (free energy steps)
- * @param nstcalcenergy The energy calculation frequency
- * @param nstcalcfreeenergy The free energy calculation frequency
- * @param nstcalcvirial The free energy calculation frequency
- */
- EnergySignaller(
- std::vector<SignallerCallbackPtr> calculateEnergyCallbacks,
- std::vector<SignallerCallbackPtr> calculateVirialCallbacks,
- std::vector<SignallerCallbackPtr> calculateFreeEnergyCallbacks,
- int nstcalcenergy,
- int nstcalcfreeenergy,
- int nstcalcvirial);
-
- //! Client callbacks
- //! {
- std::vector<SignallerCallbackPtr> calculateEnergyCallbacks_;
- std::vector<SignallerCallbackPtr> calculateVirialCallbacks_;
- std::vector<SignallerCallbackPtr> calculateFreeEnergyCallbacks_;
- //! }
-
- //! The energy calculation frequency
- const int nstcalcenergy_;
- //! The free energy calculation frequency
- const int nstcalcfreeenergy_;
- //! The virial calculation frequency
- const int nstcalcvirial_;
-
- //! ITrajectorySignallerClient implementation
- SignallerCallbackPtr registerTrajectorySignallerCallback(TrajectoryEvent event) override;
- //! The energy writing step (notified by signaller)
- Step energyWritingStep_;
- //! Whether we registered to the trajectory signaller
- bool trajectoryRegistrationDone_;
-
- //! ILoggingSignallerClient implementation
- SignallerCallbackPtr registerLoggingCallback() override;
- //! The next logging step (notified by signaller)
- Step loggingStep_;
- //! Whether we registered to the logging signaller
- bool loggingRegistrationDone_;
+public:
+ /*! \brief Run the signaller at a specific step / time
+ *
+ * Informs callbacks of energy / virial / free energy special steps
+ *
+ * @param step The current time step
+ * @param time The current time
+ */
+ void signal(Step step, Time time) override;
+
+ //! Check that necessary registration was done
+ void signallerSetup() override;
+
+ //! Allow builder to construct
+ friend class SignallerBuilder<EnergySignaller>;
+ //! Define client type
+ typedef IEnergySignallerClient Client;
+
+private:
+ /*! \brief Constructor
+ *
+ * @param calculateEnergyCallbacks A vector of pointers to callbacks (energy steps)
+ * @param calculateVirialCallbacks A vector of pointers to callbacks (virial steps)
+ * @param calculateFreeEnergyCallbacks A vector of pointers to callbacks (free energy steps)
+ * @param nstcalcenergy The energy calculation frequency
+ * @param nstcalcfreeenergy The free energy calculation frequency
+ * @param nstcalcvirial The free energy calculation frequency
+ */
+ EnergySignaller(std::vector<SignallerCallbackPtr> calculateEnergyCallbacks,
+ std::vector<SignallerCallbackPtr> calculateVirialCallbacks,
+ std::vector<SignallerCallbackPtr> calculateFreeEnergyCallbacks,
+ int nstcalcenergy,
+ int nstcalcfreeenergy,
+ int nstcalcvirial);
+
+ //! Client callbacks
+ //! {
+ std::vector<SignallerCallbackPtr> calculateEnergyCallbacks_;
+ std::vector<SignallerCallbackPtr> calculateVirialCallbacks_;
+ std::vector<SignallerCallbackPtr> calculateFreeEnergyCallbacks_;
+ //! }
+
+ //! The energy calculation frequency
+ const int nstcalcenergy_;
+ //! The free energy calculation frequency
+ const int nstcalcfreeenergy_;
+ //! The virial calculation frequency
+ const int nstcalcvirial_;
+
+ //! ITrajectorySignallerClient implementation
+ SignallerCallbackPtr registerTrajectorySignallerCallback(TrajectoryEvent event) override;
+ //! The energy writing step (notified by signaller)
+ Step energyWritingStep_;
+ //! Whether we registered to the trajectory signaller
+ bool trajectoryRegistrationDone_;
+
+ //! ILoggingSignallerClient implementation
+ SignallerCallbackPtr registerLoggingCallback() override;
+ //! The next logging step (notified by signaller)
+ Step loggingStep_;
+ //! Whether we registered to the logging signaller
+ bool loggingRegistrationDone_;
};
//! Allows clients to register to the signaller
-template <class Signaller>
-void SignallerBuilder<Signaller>::registerSignallerClient(
- compat::not_null<typename Signaller::Client*> client)
+template<class Signaller>
+void SignallerBuilder<Signaller>::registerSignallerClient(compat::not_null<typename Signaller::Client*> client)
{
signallerClients_.emplace_back(client);
}
*
* General version - for NeighborSearchSignaller, LastStepSignaller, LoggingSignaller
*/
-template <class Signaller>
-template <typename ... Args>
-std::unique_ptr<Signaller> SignallerBuilder<Signaller>::build(Args && ... args)
+template<class Signaller>
+template<typename... Args>
+std::unique_ptr<Signaller> SignallerBuilder<Signaller>::build(Args&&... args)
{
auto callbacks = buildCallbackVector();
// NOLINTNEXTLINE(modernize-make-unique): make_unique does not work with private constructor
- return std::unique_ptr<Signaller>(
- new Signaller(
- std::move(callbacks),
- std::forward<Args>(args) ...));
+ return std::unique_ptr<Signaller>(new Signaller(std::move(callbacks), std::forward<Args>(args)...));
}
/*! \brief Build the signaller
*
* Specialized version - EnergySignaller has a significantly different build process
*/
-template <>
-template <typename ... Args>
-std::unique_ptr<EnergySignaller> SignallerBuilder<EnergySignaller>::build(Args && ... args)
+template<>
+template<typename... Args>
+std::unique_ptr<EnergySignaller> SignallerBuilder<EnergySignaller>::build(Args&&... args)
{
- auto calculateEnergyCallbacks = buildCallbackVector(EnergySignallerEvent::EnergyCalculationStep);
- auto calculateVirialCallbacks = buildCallbackVector(EnergySignallerEvent::VirialCalculationStep);
- auto calculateFreeEnergyCallbacks = buildCallbackVector(EnergySignallerEvent::FreeEnergyCalculationStep);
+ auto calculateEnergyCallbacks = buildCallbackVector(EnergySignallerEvent::EnergyCalculationStep);
+ auto calculateVirialCallbacks = buildCallbackVector(EnergySignallerEvent::VirialCalculationStep);
+ auto calculateFreeEnergyCallbacks =
+ buildCallbackVector(EnergySignallerEvent::FreeEnergyCalculationStep);
// NOLINTNEXTLINE(modernize-make-unique): make_unique does not work with private constructor
- return std::unique_ptr<EnergySignaller>(
- new EnergySignaller(
- std::move(calculateEnergyCallbacks),
- std::move(calculateVirialCallbacks),
- std::move(calculateFreeEnergyCallbacks),
- std::forward<Args>(args) ...));
+ return std::unique_ptr<EnergySignaller>(new EnergySignaller(
+ std::move(calculateEnergyCallbacks), std::move(calculateVirialCallbacks),
+ std::move(calculateFreeEnergyCallbacks), std::forward<Args>(args)...));
}
//! Helper function to get the callbacks from the clients
-template <typename Signaller>
-template <typename ... Args>
-std::vector<SignallerCallbackPtr> SignallerBuilder<Signaller>::buildCallbackVector(Args && ... args)
+template<typename Signaller>
+template<typename... Args>
+std::vector<SignallerCallbackPtr> SignallerBuilder<Signaller>::buildCallbackVector(Args&&... args)
{
std::vector<SignallerCallbackPtr> callbacks;
// Allow clients to register their callbacks
- for (auto &client : signallerClients_)
+ for (auto& client : signallerClients_)
{
- if (auto callback = getSignallerCallback(client, std::forward<Args>(args) ...)) // don't register nullptr
+ if (auto callback = getSignallerCallback(client, std::forward<Args>(args)...)) // don't register nullptr
{
callbacks.emplace_back(std::move(callback));
}
}
//! Get a callback from a single client - NeighborSearchSignaller
-template <>
-template <typename ... Args>
+template<>
+template<typename... Args>
SignallerCallbackPtr SignallerBuilder<NeighborSearchSignaller>::getSignallerCallback(
- typename NeighborSearchSignaller::Client *client, Args && ... args)
+ typename NeighborSearchSignaller::Client* client,
+ Args&&... args)
{
- return client->registerNSCallback(std::forward<Args>(args) ...);
+ return client->registerNSCallback(std::forward<Args>(args)...);
}
//! Get a callback from a single client - LastStepSignaller
-template <>
-template <typename ... Args>
-SignallerCallbackPtr SignallerBuilder<LastStepSignaller>::getSignallerCallback(
- typename LastStepSignaller::Client *client, Args && ... args)
+template<>
+template<typename... Args>
+SignallerCallbackPtr
+SignallerBuilder<LastStepSignaller>::getSignallerCallback(typename LastStepSignaller::Client* client,
+ Args&&... args)
{
- return client->registerLastStepCallback(std::forward<Args>(args) ...);
+ return client->registerLastStepCallback(std::forward<Args>(args)...);
}
//! Get a callback from a single client - LoggingSignaller
-template <>
-template <typename ... Args>
-SignallerCallbackPtr SignallerBuilder<LoggingSignaller>::getSignallerCallback(
- typename LoggingSignaller::Client *client, Args && ... args)
+template<>
+template<typename... Args>
+SignallerCallbackPtr
+SignallerBuilder<LoggingSignaller>::getSignallerCallback(typename LoggingSignaller::Client* client,
+ Args&&... args)
{
- return client->registerLoggingCallback(std::forward<Args>(args) ...);
+ return client->registerLoggingCallback(std::forward<Args>(args)...);
}
//! Get a callback from a single client - EnergySignaller
-template <>
-template <typename ... Args>
-SignallerCallbackPtr SignallerBuilder<EnergySignaller>::getSignallerCallback(
- typename EnergySignaller::Client *client, Args && ... args)
+template<>
+template<typename... Args>
+SignallerCallbackPtr SignallerBuilder<EnergySignaller>::getSignallerCallback(typename EnergySignaller::Client* client,
+ Args&&... args)
{
- return client->registerEnergyCallback(std::forward<Args>(args) ...);
+ return client->registerEnergyCallback(std::forward<Args>(args)...);
}
-} // namespace gmx
+} // namespace gmx
#endif // GMX_MODULARSIMULATOR_SIGNALLERS_H
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff