Base class for MPC solutes. More...

#include <Base.hpp>

Collaboration diagram for OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >:

Public Member Functions
virtual	~Base ()
	The destructor. More...

virtual void	performMDTimestep ()=0
	Performs, on the Device, an MD timestep of size `getMDTimeStepSize()`. More...

virtual std::size_t	getParticleCount () const =0
	Returns the number of MPC solute particles. More...

virtual std::size_t	getNumberOfLogicalEntities () const =0
	Returns the number of logical entities in the solute. More...

void	fetchFromDevice () const
	Copies the MPC solute particles from the CUDA Device to the Host. More...

const RemotelyStoredVector< const PositionCoordinate >	getPosition (const std::size_t particleID) const
	Returns a MPC solute particle's position vector. More...

const RemotelyStoredVector< const VelocityCoordinate >	getVelocity (const std::size_t particleID) const
	Returns a MPC solute particle's velocity vector. More...

const PositionCoordinate *	getDevicePositions () const
	Returns a const pointer to the MPC solute positions on the Device. More...

PositionCoordinate *	getDevicePositions ()
	Returns a pointer to the MPC solute positions on the Device. More...

PositionCoordinate *	getHostPositions ()
	Returns a pointer to the MPC solute positions on the Host. More...

const VelocityCoordinate *	getDeviceVelocities () const
	Returns a const pointer to the MPC solute velocities on the Device. More...

VelocityCoordinate *	getDeviceVelocities ()
	Returns a pointer to the MPC solute velocities on the Device. More...

VelocityCoordinate *	getHostVelocities ()
	Returns a pointer to the MPC solute velocities on the Host. More...

FP	getMDTimeStepSize () const
	Returns the number of time units advanced per MD step. More...

bool	hasInstrumentation () const
	Returns whether the solute has instrumentation configured. More...

Instrumentation::Base &	getInstrumentation () const
	Returns the solute instrumentation. More...

virtual FP	getParticleMass () const =0
	Returns the mass of a particle, which is assumed to be equal for all particles in this instance. More...

Protected Member Functions
	Base ()
	The constructor. More...

void	pushToDevice ()
	Copies the MPC solute particles from the Host to the CUDA Device. More...

Protected Attributes
DeviceMemoryManager	deviceMemoryManager
	The Device memory manager. More...

FP	mdTimeStepSize
	The number of time units to advance per MD step. More...

Instrumentation::Base *	instrumentation
	The solute instrumentation. More...

boost::scoped_array< PositionCoordinate >	h_positions
	Host buffer for particle positions. More...

boost::scoped_array< VelocityCoordinate >	h_velocities
	Host buffer for particle velocities. More...

PositionCoordinate *	d_positions
	Particle positions on the Device. More...

VelocityCoordinate *	d_velocities
	Particle velocities on the Device. More...

Detailed Description

template<typename PositionCoordinate, typename VelocityCoordinate>
class OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >

Base class for MPC solutes.

Template Parameters

PositionCoordinate	The type to store position coordinates.
VelocityCoordinate	The type to store velocity coordinates.

Definition at line 35 of file CUDA/MPCSolute/Base.hpp.

Constructor & Destructor Documentation

◆ Base()

template<typename PositionCoordinate , typename VelocityCoordinate >

OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::Base ( )

protected

The constructor.

◆ ~Base()

template<typename PositionCoordinate , typename VelocityCoordinate >

virtual OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::~Base ( )

virtual

The destructor.

Member Function Documentation

◆ fetchFromDevice()

template<typename PositionCoordinate , typename VelocityCoordinate >

void OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::fetchFromDevice ( ) const

Copies the MPC solute particles from the CUDA Device to the Host.

◆ getDevicePositions() [1/2]

template<typename PositionCoordinate , typename VelocityCoordinate >

PositionCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getDevicePositions ( )

inline

Returns a pointer to the MPC solute positions on the Device.

Definition at line 116 of file CUDA/MPCSolute/Base.hpp.

◆ getDevicePositions() [2/2]

template<typename PositionCoordinate , typename VelocityCoordinate >

const PositionCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getDevicePositions ( ) const

inline

Returns a const pointer to the MPC solute positions on the Device.

Definition at line 108 of file CUDA/MPCSolute/Base.hpp.

◆ getDeviceVelocities() [1/2]

template<typename PositionCoordinate , typename VelocityCoordinate >

VelocityCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getDeviceVelocities ( )

inline

Returns a pointer to the MPC solute velocities on the Device.

Definition at line 140 of file CUDA/MPCSolute/Base.hpp.

◆ getDeviceVelocities() [2/2]

template<typename PositionCoordinate , typename VelocityCoordinate >

const VelocityCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getDeviceVelocities ( ) const

inline

Returns a const pointer to the MPC solute velocities on the Device.

Definition at line 132 of file CUDA/MPCSolute/Base.hpp.

◆ getHostPositions()

template<typename PositionCoordinate , typename VelocityCoordinate >

PositionCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getHostPositions ( )

inline

Returns a pointer to the MPC solute positions on the Host.

Definition at line 124 of file CUDA/MPCSolute/Base.hpp.

◆ getHostVelocities()

template<typename PositionCoordinate , typename VelocityCoordinate >

VelocityCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getHostVelocities ( )

inline

Returns a pointer to the MPC solute velocities on the Host.

Definition at line 148 of file CUDA/MPCSolute/Base.hpp.

◆ getInstrumentation()

template<typename PositionCoordinate , typename VelocityCoordinate >

Instrumentation::Base& OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getInstrumentation ( ) const

inline

Returns the solute instrumentation.

Exceptions

OpenMPCD::NULLPointerException If OPENMPCD_DEBUG is defined, throws if !hasInstrumentation().

Definition at line 175 of file CUDA/MPCSolute/Base.hpp.

◆ getMDTimeStepSize()

template<typename PositionCoordinate , typename VelocityCoordinate >

FP OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getMDTimeStepSize ( ) const

inline

Returns the number of time units advanced per MD step.

Definition at line 156 of file CUDA/MPCSolute/Base.hpp.

◆ getNumberOfLogicalEntities()

template<typename PositionCoordinate , typename VelocityCoordinate >

virtual std::size_t OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getNumberOfLogicalEntities ( ) const

pure virtual

Returns the number of logical entities in the solute.

◆ getParticleCount()

template<typename PositionCoordinate , typename VelocityCoordinate >

virtual std::size_t OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getParticleCount ( ) const

pure virtual

Returns the number of MPC solute particles.

◆ getParticleMass()

template<typename PositionCoordinate , typename VelocityCoordinate >

virtual FP OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getParticleMass ( ) const

pure virtual

Returns the mass of a particle, which is assumed to be equal for all particles in this instance.

◆ getPosition()

template<typename PositionCoordinate , typename VelocityCoordinate >

const RemotelyStoredVector<const PositionCoordinate> OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getPosition ( const std::size_t particleID ) const

Returns a MPC solute particle's position vector.

Warning: This function only returns the position that was current the last time fetchFromDevice was called.

Exceptions

OpenMPCD::OutOfBoundsException If OPENMPCD_DEBUG is defined, throws if particleID >= getParticleCount().

Parameters

[in] particleID The particle ID.

◆ getVelocity()

template<typename PositionCoordinate , typename VelocityCoordinate >

const RemotelyStoredVector<const VelocityCoordinate> OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::getVelocity ( const std::size_t particleID ) const

Returns a MPC solute particle's velocity vector.

Warning: This function only returns the velocity that was current the last time fetchFromDevice was called.

Exceptions

OpenMPCD::OutOfBoundsException If OPENMPCD_DEBUG is defined, throws if particleID >= getParticleCount().

Parameters

[in] particleID The particle ID.

◆ hasInstrumentation()

template<typename PositionCoordinate , typename VelocityCoordinate >

bool OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::hasInstrumentation ( ) const

inline

Returns whether the solute has instrumentation configured.

Definition at line 164 of file CUDA/MPCSolute/Base.hpp.

◆ performMDTimestep()

template<typename PositionCoordinate , typename VelocityCoordinate >

virtual void OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::performMDTimestep ( )

pure virtual

Performs, on the Device, an MD timestep of size getMDTimeStepSize().

Implemented in OpenMPCD::CUDA::MPCSolute::StarPolymers< PositionCoordinate, VelocityCoordinate >.

◆ pushToDevice()

template<typename PositionCoordinate , typename VelocityCoordinate >

void OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::pushToDevice ( )

protected

Copies the MPC solute particles from the Host to the CUDA Device.

Member Data Documentation

◆ d_positions

template<typename PositionCoordinate , typename VelocityCoordinate >

PositionCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::d_positions

protected

Particle positions on the Device.

Definition at line 210 of file CUDA/MPCSolute/Base.hpp.

◆ d_velocities

template<typename PositionCoordinate , typename VelocityCoordinate >

VelocityCoordinate* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::d_velocities

protected

Particle velocities on the Device.

Definition at line 211 of file CUDA/MPCSolute/Base.hpp.

◆ deviceMemoryManager

template<typename PositionCoordinate , typename VelocityCoordinate >

DeviceMemoryManager OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::deviceMemoryManager

protected

The Device memory manager.

Definition at line 199 of file CUDA/MPCSolute/Base.hpp.

◆ h_positions

template<typename PositionCoordinate , typename VelocityCoordinate >

boost::scoped_array<PositionCoordinate> OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::h_positions

mutableprotected

Host buffer for particle positions.

Definition at line 205 of file CUDA/MPCSolute/Base.hpp.

◆ h_velocities

template<typename PositionCoordinate , typename VelocityCoordinate >

boost::scoped_array<VelocityCoordinate> OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::h_velocities

mutableprotected

Host buffer for particle velocities.

Definition at line 207 of file CUDA/MPCSolute/Base.hpp.

◆ instrumentation

template<typename PositionCoordinate , typename VelocityCoordinate >

Instrumentation::Base* OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::instrumentation

protected

The solute instrumentation.

Definition at line 203 of file CUDA/MPCSolute/Base.hpp.

◆ mdTimeStepSize

template<typename PositionCoordinate , typename VelocityCoordinate >

FP OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >::mdTimeStepSize

protected

The number of time units to advance per MD step.

Definition at line 201 of file CUDA/MPCSolute/Base.hpp.

The documentation for this class was generated from the following file:

CUDA/MPCSolute/Base.hpp

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

template<typename PositionCoordinate, typename VelocityCoordinate> class OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >

Constructor & Destructor Documentation

◆ Base()

◆ ~Base()

Member Function Documentation

◆ fetchFromDevice()

◆ getDevicePositions() [1/2]

◆ getDevicePositions() [2/2]

◆ getDeviceVelocities() [1/2]

◆ getDeviceVelocities() [2/2]

◆ getHostPositions()

◆ getHostVelocities()

◆ getInstrumentation()

◆ getMDTimeStepSize()

◆ getNumberOfLogicalEntities()

◆ getParticleCount()

◆ getParticleMass()

◆ getPosition()

◆ getVelocity()

◆ hasInstrumentation()

◆ performMDTimestep()

◆ pushToDevice()

Member Data Documentation

◆ d_positions

◆ d_velocities

◆ deviceMemoryManager

◆ h_positions

◆ h_velocities

◆ instrumentation

◆ mdTimeStepSize

template<typename PositionCoordinate, typename VelocityCoordinate>
class OpenMPCD::CUDA::MPCSolute::Base< PositionCoordinate, VelocityCoordinate >