#include "IMP/ScoringFunction.h"

Inheritance diagram for IMP::kernel::ScoringFunction:

Public Types
typedef std::pair< double, bool >	ScoreIsGoodPair

Public Member Functions
	ScoringFunction (Model *m, std::string name)

void	clear_caches ()

virtual Restraints	create_restraints () const =0

virtual ModelObjectsTemp	do_get_inputs () const

virtual ModelObjectsTemp	do_get_outputs () const

virtual void	do_update_dependencies ()

double	evaluate (bool derivatives)
	Evaluate and return the score. More...

double	evaluate_if_below (bool derivatives, double max)

double	evaluate_if_good (bool derivatives)

bool	get_had_good_score () const

double	get_last_score () const

const ScoreStatesTemp &	get_score_states ()

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 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 Member Functions
virtual void	do_add_score_and_derivatives (ScoreAccumulator sa, const ScoreStatesTemp &ss)=0

virtual ScoreStatesTemp	get_required_score_states () const =0

ScoreAccumulator	get_score_accumulator (bool deriv)

ScoreAccumulator	get_score_accumulator_if_below (bool deriv, double max)

ScoreAccumulator	get_score_accumulator_if_good (bool deriv)

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

virtual void	update_dependencies ()

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

Related Functions
(Note that these are not member functions.)
typedef IMP::base::Vector < IMP::base::WeakPointer < ScoringFunction > >	ScoringFunctionsTemp

Related Functions inherited from IMP::kernel::ModelObject
typedef IMP::base::Vector < IMP::base::WeakPointer < ModelObject > >	ModelObjectsTemp

Related Functions inherited from IMP::base::Object
typedef IMP::base::Vector < IMP::base::WeakPointer < Object > >	ObjectsTemp

Detailed Description

A ScoringFunction represents a scoring function on the model.
The Model has a default scoring function
(Model::get_model_scoring_function()), but it can be useful to use
others in different contexts during a samping process.

A call to the evaluate() method prompts the following events:

determine set of ScoreState objects needed by the Restraint objects being evaluated (this is cached)

call ScoreState::before_evaluate() on each of them to update configuration

call Restraint::unprotected_evaluate() to compute scores [and add derivatives in the particles]

[call ScoreState::after_evaluate() on each score state to update derivatives]

score returned

Definition at line 46 of file kernel/declare_ScoringFunction.h.

Member Function Documentation

void IMP::kernel::ScoringFunction::clear_caches ( )

virtual

Objects can have internal caches. This method resets them returning the object to its just-initialized state.

Reimplemented from IMP::base::Object.

virtual Restraints IMP::kernel::ScoringFunction::create_restraints ( ) const

pure virtual

Return a set of restraints equivalent to this scoring function.

Implemented in IMP::core::IncrementalScoringFunction.

virtual void IMP::kernel::ScoringFunction::do_add_score_and_derivatives	(	ScoreAccumulator	sa,
		const ScoreStatesTemp &	ss
	)

protectedpure virtual

Do the actual work of computing the score and (optional) derivatives. The list of all score states that must be updated is passed.

Implemented in IMP::core::IncrementalScoringFunction.

virtual ModelObjectsTemp IMP::kernel::ScoringFunction::do_get_inputs ( ) const

virtual

Override if this reads other objects during evaluate.

Implements IMP::kernel::ModelObject.

Definition at line 86 of file kernel/declare_ScoringFunction.h.

virtual ModelObjectsTemp IMP::kernel::ScoringFunction::do_get_outputs ( ) const

virtual

Override if this writes other objects during evaluate.

Implements IMP::kernel::ModelObject.

Definition at line 89 of file kernel/declare_ScoringFunction.h.

virtual void IMP::kernel::ScoringFunction::do_update_dependencies ( )

virtual

This method is called when the dependencies in the model have changed and model evaluate is called (or Model::ensure_dependencies()). The object can use this to update anything that is needed for efficient computation.

Reimplemented from IMP::kernel::ModelObject.

double IMP::kernel::ScoringFunction::evaluate ( bool derivatives )

Evaluate the score function and return the resulting score

Parameters

derivatives if true, updates the derivatives of the scoring function

bool IMP::kernel::ScoringFunction::get_had_good_score ( ) const

Return true if the last evaluate satisfied all the restraint thresholds.

Definition at line 110 of file kernel/declare_ScoringFunction.h.

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

returns the score that was calculated in the last call evaluate

Definition at line 116 of file kernel/declare_ScoringFunction.h.

virtual ScoreStatesTemp IMP::kernel::ScoringFunction::get_required_score_states ( ) const