Abstract score function. More...

#include <IMP/kernel/PairScore.h>

Inheritance diagram for IMP::kernel::PairScore:

Public Types
typedef ParticlePair	Argument

typedef ParticleIndexPair	IndexArgument

typedef PairModifier	Modifier

typedef const ParticlePair &	PassArgument

typedef const ParticleIndexPair &	PassIndexArgument

Public Member Functions
	PairScore (std::string name="PairScore %1%")

Restraints	create_current_decomposition (Model *m, const ParticleIndexPair &vt) const

virtual double	evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const
	Compute the score and the derivative if needed.

virtual double	evaluate_if_good_index (Model m, const ParticleIndexPair &vt, DerivativeAccumulator da, double max) const
	Compute the score and the derivative if needed.

virtual double	evaluate_if_good_indexes (Model m, const ParticleIndexPairs &o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound) const

virtual double	evaluate_index (Model m, const ParticleIndexPair &vt, DerivativeAccumulator da) const
	Compute the score and the derivative if needed.

virtual double	evaluate_indexes (Model m, const ParticleIndexPairs &o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound) const

ContainersTemp	get_input_containers (Particle *p) const

ParticlesTemp	get_input_particles (Particle *p) const

ModelObjectsTemp	get_inputs (Model *m, const ParticleIndexes &pis) 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 Member Functions
virtual Restraints	do_create_current_decomposition (Model *m, const ParticleIndexPair &vt) const

virtual ModelObjectsTemp	do_get_inputs (Model *m, const ParticleIndexes &pis) const =0

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 < PairScore > >	PairScoresTemp

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

Detailed Description

PairScores will evaluate the score and derivatives for the passed particles. Use in conjunction with various restraints such as IMP::core::PairsRestraint or IMP::core::PairRestraint.

Implementers should check out IMP_PAIR_SCORE().

Definition at line 33 of file kernel/PairScore.h.

Member Function Documentation

Restraints IMP::kernel::PairScore::create_current_decomposition	(	Model *	m,
		const ParticleIndexPair &	vt
	)		const

Decompose this pair score acting on the pair into a set of restraints. The scoring function and derivatives should be equal to the current score. The defualt implementation just returns this object bound to the pair.

virtual Restraints IMP::kernel::PairScore::do_create_current_decomposition	(	Model *	m,
		const ParticleIndexPair &	vt
	)		const

protectedvirtual

Overide this to return your own decomposition.

virtual ModelObjectsTemp IMP::kernel::PairScore::do_get_inputs	(	Model *	m,
		const ParticleIndexes &	pis
	)		const

protectedpure virtual

Override if this reads other objects during evaluate.

virtual double IMP::kernel::PairScore::evaluate_if_good_indexes	(	Model *	m,
		const ParticleIndexPairs &	o,
		DerivativeAccumulator *	da,
		double	max,
		unsigned int	lower_bound,
		unsigned int	upper_bound
	)		const

virtual

Implementations for these are provided by the IMP_PAIR_SCORE() macro.

virtual double IMP::kernel::PairScore::evaluate_indexes	(	Model *	m,
		const ParticleIndexPairs &	o,
		DerivativeAccumulator *	da,
		unsigned int	lower_bound,
		unsigned int	upper_bound
	)		const

virtual

Implementations for these are provided by the IMP_PAIR_SCORE() macro.

ContainersTemp IMP::kernel::PairScore::get_input_containers ( Particle * p ) const

Get the set of input containers when this modifier is applied to the arguments.

Deprecated:: use get_outputs() instead.

ParticlesTemp IMP::kernel::PairScore::get_input_particles ( Particle * p ) const

Get the set of particles read when applied to the arguments.

Deprecated:: use get_inputs() instead.

ModelObjectsTemp IMP::kernel::PairScore::get_inputs	(	Model *	m,
		const ParticleIndexes &	pis
	)		const

Get all the ModelObject objects that are read when the referenced particles are passed in.

Friends And Related Function Documentation

typedef IMP::base::Vector<IMP::base::WeakPointer< PairScore > > PairScoresTemp

Definition at line 97 of file kernel/base_types.h.

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

Public Types

Public Member Functions

Protected Member Functions

Related Functions

Detailed Description

Member Function Documentation

Friends And Related Function Documentation