Detailed Description

Move continuous particle variables by perturbing them within a ball.

The variables are perturbed within a ball of the given radius.

See Also: MonteCarlo

Definition at line 26 of file core/BallMover.h.

Public Member Functions
	BallMover (Model *m, ParticleIndex pi, const FloatKeys &vars, double radius)
	Move specified variables of particle pi within a ball of specified radius. More...

	BallMover (Model *m, ParticleIndex pi, double radius)
	Move the x,y,z coordinates of pi within a ball of specified radius. More...

	BallMover (Model *m, const ParticleIndexes &pis, const FloatKeys &vars, Float radius)
	Move specified variables of particles within a ball of specified radius. More...

	BallMover (Model *m, const ParticleIndexes &pis, Float radius)
	Move the x,y,z coordinates of pis within a ball of specified radius. More...

Float	get_radius () const

virtual std::string	get_type_name () const override

virtual ::IMP::VersionInfo	get_version_info () const override
	Get information about the module and version of the object. More...

void	set_radius (Float radius)

Public Member Functions inherited from IMP::core::MonteCarloMover
	MonteCarloMover (Model *m, std::string name)

void	accept ()
	Accept/commit any changes made to the Particles. More...

MonteCarloMoverResult	propose ()
	Propose a modification. More...

void	reject ()
	Roll back any changes made to the Particles. More...

unsigned int	get_number_of_proposed () const

unsigned int	get_number_of_accepted () const

void	reset_statistics ()

Public Member Functions inherited from IMP::ModelObject
	ModelObject (Model *m, std::string name)

bool	get_has_dependencies () const
	Return whether this object has dependencies computed. More...

bool	get_has_required_score_states () const
	Return whether score states are computed. More...

ModelObjectsTemp	get_inputs () const

ModelObjectsTemps	get_interactions () const
	Get the interacting sets induced by this ModelObject. More...

Model *	get_model () const

ModelObjectsTemp	get_outputs () const

const ScoreStatesTemp &	get_required_score_states () const
	Get the score states that are ancestors of this in the dependency graph. More...

void	set_has_dependencies (bool tf)
	Either invalidate the dependencies or ensure they are correct. More...

void	set_has_required_score_states (bool tf)
	Compute the required score states. More...

Public Member Functions inherited from IMP::Object
virtual void	clear_caches ()

CheckLevel	get_check_level () const

LogLevel	get_log_level () const

void	set_check_level (CheckLevel l)

void	set_log_level (LogLevel l)
	Set the logging level used in this object. More...

void	set_was_used (bool tf) const

void	show (std::ostream &out=std::cout) const

const std::string &	get_name () const

void	set_name (std::string name)

Protected Member Functions
virtual ModelObjectsTemp	do_get_inputs () const override

virtual MonteCarloMoverResult	do_propose () override
	Move particle attributes within a ball, as specified in constructor. More...

virtual void	do_reject () override
	Restore original attributes from before do_propose() More...

Protected Member Functions inherited from IMP::core::MonteCarloMover
virtual void	do_accept ()
	Implement accept_proposed_move(); default implementation is empty. More...

virtual ModelObjectsTemp	do_get_outputs () const override

Protected Member Functions inherited from IMP::ModelObject
virtual ModelObjectsTemps	do_get_interactions () const

virtual void	handle_set_has_required_score_states (bool)

Protected Member Functions inherited from IMP::Object
	Object (std::string name)
	Construct an object with the given name. More...

virtual void	do_destroy ()

Constructor & Destructor Documentation

IMP::core::BallMover::BallMover	(	Model *	m,
		ParticleIndex	pi,
		const FloatKeys &	vars,
		double	radius
	)

Move specified variables of particle pi within a ball of specified radius.

Construct a mover that in each move, perturbs the specified variables (attributes) of particle pi in model m, within a ball of specified radius, whose dimensionality is the total number of attributes.

IMP::core::BallMover::BallMover	(	Model *	m,
		ParticleIndex	pi,
		double	radius
	)

Move the x,y,z coordinates of pi within a ball of specified radius.

IMP::core::BallMover::BallMover	(	Model *	m,
		const ParticleIndexes &	pis,
		const FloatKeys &	vars,
		Float	radius
	)

Move specified variables of particles within a ball of specified radius.

Parameters

[in]	m	The model containing the particles.
[in]	pis	The set of particles to perturb.
[in]	vars	The variables to use (normally the keys for x,y,z)
[in]	radius	The radius deviation to use.

IMP::core::BallMover::BallMover	(	Model *	m,
		const ParticleIndexes &	pis,
		Float	radius
	)

Move the x,y,z coordinates of pis within a ball of specified radius.

The x,y,z coordinates of each particle are perturbed within a ball.

Parameters

[in]	m	The model containing the particles.
[in]	pis	The set of particles to perturb.
[in]	radius	The radius deviation to use.

Member Function Documentation

virtual ModelObjectsTemp IMP::core::BallMover::do_get_inputs ( ) const

overrideprotectedvirtual

Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.

Implements IMP::ModelObject.

virtual MonteCarloMoverResult IMP::core::BallMover::do_propose ( )

overrideprotectedvirtual

Move particle attributes within a ball, as specified in constructor.

Implements IMP::core::MonteCarloMover.

virtual void IMP::core::BallMover::do_reject ( )

overrideprotectedvirtual

Restore original attributes from before do_propose()

Implements IMP::core::MonteCarloMover.

virtual ::IMP::VersionInfo IMP::core::BallMover::get_version_info ( ) const

overridevirtual

Get information about the module and version of the object.