Detailed Description

Represents a scoring function on the model.

The Model has a default scoring function (kernel::Model::get_model_scoring_function()), but it can be useful to use others in different contexts during a sampling 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 44 of file kernel/ScoringFunction.h.

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

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

virtual Restraints	create_restraints () const =0
	Return a set of restraints equivalent to this scoring function. More...

virtual ModelObjectsTemp	do_get_outputs () const

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
	returns the score that was calculated in the last evaluate call More...

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

CheckLevel	get_check_level () const

LogLevel	get_log_level () const

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

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)

virtual std::string	get_type_name () const

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

virtual void	do_destroy ()

Member Function Documentation

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.

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

virtual

Get any Particle, Container or other ModelObjects changed by this during evaluation. This is only useful for ScoreStates, at the moment.

Implements IMP::kernel::ModelObject.

Definition at line 69 of file kernel/ScoringFunction.h.

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

Evaluate and return the score.

Returns: 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 87 of file kernel/ScoringFunction.h.

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

returns the score that was calculated in the last evaluate call

Definition at line 90 of file kernel/ScoringFunction.h.

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

kernel/ScoringFunction.h

Detailed Description

Public Types

Public Member Functions

Protected Member Functions

Member Function Documentation