ContextImpl Class Reference

This is the internal implementation of a Context. More...

#include <ContextImpl.h>

List of all members.

Public Member Functions
	ContextImpl (Context &owner, System &system, Integrator &integrator, Platform *platform, const std::map< std::string, std::string > &properties)
	Create an ContextImpl for a Context;.
	~ContextImpl ()
Context &	getOwner ()
	Get the Context for which this is the implementation.
System &	getSystem ()
	Get System being simulated in this context.
Integrator &	getIntegrator ()
	Get Integrator being used to by this context.
Platform &	getPlatform ()
	Get the Platform implementation being used for computations.
double	getTime () const
	Get the current time (in picoseconds).
void	setTime (double t)
	Set the current time (in picoseconds).
void	getPositions (std::vector< Vec3 > &positions)
	Get the positions of all particles.
void	setPositions (const std::vector< Vec3 > &positions)
	Set the positions of all particles.
void	getVelocities (std::vector< Vec3 > &velocities)
	Get the velocities of all particles.
void	setVelocities (const std::vector< Vec3 > &velocities)
	Set the velocities of all particles.
void	getForces (std::vector< Vec3 > &forces)
	Get the current forces on all particles.
double	getParameter (std::string name)
	Get the value of an adjustable parameter.
void	setParameter (std::string name, double value)
	Set the value of an adjustable parameter.
void	calcForces ()
	Recalculate all of the forces in the system.
double	calcKineticEnergy ()
	Calculate the kinetic energy of the system (in kJ/mol).
double	calcPotentialEnergy ()
	Calculate the potential energy of the system (in kJ/mol).
void	updateContextState ()
	This should be called at the start of each time step.
void *	getPlatformData ()
	Get the platform-specific data stored in this context.
const void *	getPlatformData () const
	Get the platform-specific data stored in this context.
void	setPlatformData (void *data)
	Set the platform-specific data stored in this context.
Friends
class	Context

---

Detailed Description

This is the internal implementation of a Context.

---

Constructor & Destructor Documentation

ContextImpl	(	Context &	owner,
		System &	system,
		Integrator &	integrator,
		Platform *	platform,
		const std::map< std::string, std::string > &	properties
	)

Create an ContextImpl for a Context;.

~ContextImpl

(

)

---

Member Function Documentation

void calcForces

(

)

Recalculate all of the forces in the system.

After calling this, use getForces() to retrieve the forces that were calculated.

double calcKineticEnergy

(

)

Calculate the kinetic energy of the system (in kJ/mol).

double calcPotentialEnergy

(

)

Calculate the potential energy of the system (in kJ/mol).

void getForces

(

std::vector< Vec3 > &

forces

)

Get the current forces on all particles.

Parameters:

forces

on exit, this contains the forces

Integrator& getIntegrator

(

)

[inline]

Get Integrator being used to by this context.

Context& getOwner

(

)

[inline]

Get the Context for which this is the implementation.

double getParameter

(

std::string

name

)

Get the value of an adjustable parameter.

If there is no parameter with the specified name, this throws an exception.

Parameters:

name

the name of the parameter to get

Platform& getPlatform

(

)

[inline]

Get the Platform implementation being used for computations.

const void* getPlatformData

(

)

const

Get the platform-specific data stored in this context.

void* getPlatformData

(

)

Get the platform-specific data stored in this context.

void getPositions

(

std::vector< Vec3 > &

positions

)

Get the positions of all particles.

Parameters:

positions

on exit, this contains the particle positions

System& getSystem

(

)

[inline]

Get System being simulated in this context.

double getTime

(

)

const

Get the current time (in picoseconds).

void getVelocities

(

std::vector< Vec3 > &

velocities

)

Get the velocities of all particles.

Parameters:

velocities

on exit, this contains the particle velocities

void setParameter	(	std::string	name,
		double	value
	)

Set the value of an adjustable parameter.

If there is no parameter with the specified name, this throws an exception.

Parameters:

	name	the name of the parameter to set
	value	the value of the parameter

void setPlatformData

(

void *

data

)

Set the platform-specific data stored in this context.

void setPositions

(

const std::vector< Vec3 > &

positions

)

Set the positions of all particles.

Parameters:

positions

a vector containg the particle positions

void setTime

(

double

t

)

Set the current time (in picoseconds).

void setVelocities

(

const std::vector< Vec3 > &

velocities

)

Set the velocities of all particles.

Parameters:

velocities

a vector containg the particle velocities

void updateContextState

(

)

This should be called at the start of each time step.

It calls updateContextState() on each ForceImpl in the system, allowing them to modify the values of state variables.

---

Friends And Related Function Documentation

friend class Context [friend]

---

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

• ContextImpl.h