Object used to hold a set of restraints. More...

#include "IMP/RestraintSet.h"

Inheritance diagram for IMP::kernel::RestraintSet:

Public Member Functions
	RestraintSet (kernel::Model *m, double weight, const std::string &name="RestraintSet %1%")
	Create an empty set that is registered with the model.

	RestraintSet (kernel::Model *m, const std::string &name="RestraintSet %1%")
	Create an empty set that is registered with the model.

	RestraintSet (const RestraintsTemp &rs, double weight, const std::string &name="RestraintSet %1%")
	Create a set that is registered with the model.

	RestraintSet (double weight, const std::string &name="RestraintSet %1%")

	RestraintSet (const std::string &name="RestraintSet %1%")

double	get_last_score () const

std::pair< RestraintsTemp, RestraintSetsTemp >	get_non_sets_and_sets () const

virtual std::string	get_type_name () const

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

double	unprotected_evaluate (DerivativeAccumulator *da) const

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

	Restraint (std::string name="Restraint %1%")

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

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 (kernel::Model *m, std::string name)

	ModelObject (std::string name)

virtual void	do_set_model (kernel::Model *)

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

bool	get_has_required_score_states () const

ModelObjectsTemp	get_inputs () const

ModelObjectsTemps	get_interactions () const

bool	get_is_part_of_model () const

Model *	get_model () const

ModelObjectsTemp	get_outputs () const

const ScoreStatesTemp &	get_required_score_states () const

void	set_has_dependencies (bool tf)

void	set_has_required_score_states (bool tf)

virtual void	set_model (kernel::Model *m)

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

virtual void	do_destroy ()

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)

Methods to control the nested Restraint objects
This container manages a set of Restraint objects. To manipulate the stored set use the methods below.
void	remove_restraint (Restraint *d)

void	remove_restraints (const Restraints &d)

void	set_restraints (const Restraints &ps)

void	set_restraints_order (const Restraints &objs)

unsigned int	add_restraint (Restraint *obj)

void	add_restraints (const Restraints &objs)

void	clear_restraints ()

unsigned int	get_number_of_restraints () const

bool	get_has_restraints ()

Restraint *	get_restraint (unsigned int i) const

Restraints	get_restraints () const

void	reserve_restraints (unsigned int sz)

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

Protected Member Functions inherited from IMP::kernel::ModelObject
virtual ModelObjectsTemp	do_get_inputs () const =0

virtual ModelObjectsTemps	do_get_interactions () const

virtual void	handle_set_has_required_score_states (bool)

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

	Object ()

Detailed Description

RestraintSets allow one to define a tree of restraints and to weight various restraints. Upon evaluation, all of the restraints in RestraintSets that have been added to the model are evaluated using the provided weight (weights are multiplicative when RestraintSets are nested).

If the weight is 0, the restraints are not evaluated.

Note: Restraints can belong to multiple RestraintSets. The total effect is simply one of adding up the weights.

Advanced:

Talk to Daniel if you want to inherit from RestraintSet.

Definition at line 37 of file kernel/declare_RestraintSet.h.

Constructor & Destructor Documentation

IMP::kernel::RestraintSet::RestraintSet	(	double	weight,
		const std::string &	name = `"RestraintSet %1%"`
	)

Deprecated:: As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use the constructor that takes a Model.

IMP::kernel::RestraintSet::RestraintSet ( const std::string & name = "RestraintSet %1%" )

Deprecated:: As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use the constructor that takes a Model.

Member Function Documentation

double IMP::kernel::RestraintSet::get_last_score ( ) const

virtual

Return the (unweighted) score for this restraint last time it was evaluated.

Note: If some sort of special evaluation (eg Model::evaluate_if_good()) was the last call, the score, if larger than the max, is not accurate.

Reimplemented from IMP::kernel::Restraint.

std::pair<RestraintsTemp, RestraintSetsTemp> IMP::kernel::RestraintSet::get_non_sets_and_sets ( ) const

Divide the list of contained restraints into sets and non-sets.

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

kernel/declare_RestraintSet.h

Public Member Functions

Methods to control the nested Restraint objects

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation