Ensure the radius of gyration of particles fits the predicted one. More...

#include <IMP/multifit/RadiusOfGyrationRestraint.h>

Inheritance diagram for IMP::multifit::RadiusOfGyrationRestraint:

Public Member Functions
	RadiusOfGyrationRestraint (Particles ps, int num_residues, Float scale=1.)
	Constructor. More...

unsigned int	add_particle (Particle *obj)

void	add_particles (const Particles &objs)

void	clear_particles ()

virtual void	do_show (std::ostream &out) const

bool	get_has_particles ()

unsigned int	get_number_of_particles () const

Particle *	get_particle (unsigned int i) const

Particles	get_particles () const

Float	get_radius_of_gyration ()
	Get the predicted radius of gyration used in the restraint.

void	remove_particle (Particle *d)

void	remove_particles (const Particles &d)

void	reserve_particles (unsigned int sz)

void	set_particles (const Particles &ps)

void	set_particles_order (const Particles &objs)

void	set_radius_of_gyration (Float r)
	Set the predicted radius of gyration used in the restraint.

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

void	add_score_and_derivatives (ScoreAccumulator sa) const

Restraint *	create_current_decomposition () const
	Decompose this restraint into constituent terms for the current conf. More...

Restraint *	create_decomposition () const
	Decompose this restraint into constituent terms. More...

virtual ScoringFunction *	create_scoring_function (double weight=1.0, double max=NO_MAX) const

ContainersTemp	get_input_containers () const

ParticlesTemp	get_input_particles () const

virtual double	get_last_score () const

double	get_score () const

bool	get_was_good () const

void	set_weight (Float weight)

Float	get_weight () const

double	get_maximum_score () const

void	set_maximum_score (double s)

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

ModelObjectsTemp	get_inputs () const

ModelObjectsTemps	get_interactions () const

Model *	get_model () const

ModelObjectsTemp	get_outputs () const

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

virtual IMP::base::VersionInfo	get_version_info () const =0
	Get information about the module and version of the object.

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 Attributes
Pointer< core::HarmonicUpperBound >	hub_

Model *	mdl_

Float	predicted_rog_

Float	scale_

Additional Inherited Members
Protected Member Functions inherited from IMP::kernel::Restraint
virtual void	do_add_score_and_derivatives (ScoreAccumulator sa) const

virtual Restraints	do_create_current_decomposition () const

virtual Restraints	do_create_decomposition () const

ModelObjectsTemp	do_get_outputs () const

virtual void	do_update_dependencies ()

Related Functions inherited from IMP::kernel::Restraint
typedef IMP::base::Vector < IMP::base::WeakPointer < Restraint > >	RestraintsTemp

Detailed Description

/note a harmonic upper bound is applied between the predicted radius and the actual radius

Definition at line 26 of file multifit/RadiusOfGyrationRestraint.h.

Constructor & Destructor Documentation

IMP::multifit::RadiusOfGyrationRestraint::RadiusOfGyrationRestraint	(	Particles	ps,
		int	num_residues,
		Float	scale = `1.`
	)

Parameters

[in]	ps	the particles to work on
[in]	num_residues	the number of residues the particles represent
[in]	scale	allow the radius of gyration of the particles to be at most scale times the predicted one

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

multifit/RadiusOfGyrationRestraint.h

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation