IMP::core::KClosePairsPairScore Class Reference

#include <IMP/core/ClosePairsPairScore.h>

Inheritance diagram for IMP::core::KClosePairsPairScore:

Public Member Functions
	KClosePairsPairScore (PairScore *f, Refiner *r, int k=1)
kernel::Restraints	create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const
virtual kernel::ModelObjectsTemp	do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
virtual double	evaluate_if_good_index (kernel::Model *m, const kernel::ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const
	Compute the score and the derivative if needed.
double	evaluate_if_good_indexes (kernel::Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
virtual double	evaluate_index (kernel::Model *m, const kernel::ParticleIndexPair &p, DerivativeAccumulator *da) const
	Compute the score and the derivative if needed.
double	evaluate_indexes (kernel::Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
kernel::ParticlePairsTemp	get_close_pairs (const kernel::ParticlePair &pp) 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.
Public Member Functions inherited from IMP::kernel::PairScore
	PairScore (std::string name="PairScore %1%")
Restraints	create_current_decomposition (kernel::Model *m, const ParticleIndexPair &vt) const
virtual double	evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const
	Compute the score and the derivative if needed. More...
Public Member Functions inherited from IMP::kernel::ParticleInputs
virtual ContainersTemp	get_input_containers (Particle *p) const
virtual ParticlesTemp	get_input_particles (Particle *p) const
ModelObjectsTemp	get_inputs (kernel::Model *m, const ParticleIndexes &pis) const
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)

Additional Inherited Members
Public Types inherited from IMP::kernel::PairScore
typedef ParticlePair	Argument
typedef ParticleIndexPair	IndexArgument
typedef PairModifier	Modifier
typedef const ParticlePair &	PassArgument
typedef const ParticleIndexPair &	PassIndexArgument
Protected Member Functions inherited from IMP::kernel::PairScore
virtual Restraints	do_create_current_decomposition (kernel::Model *m, const ParticleIndexPair &vt) const
Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)
	Construct an object with the given name. More...
	Object ()

Detailed Description

Apply a score to a fixed number of close pairs from the two sets.

Apply the score to either the k closest pairs (sphere distance). The envisioned use case is that the two particles each represent a protein and the refiners return the geometry for that protein.

Rigid bodies are special cased for efficiency.

See Also

ClosePairsScoreState

Definition at line 31 of file ClosePairsPairScore.h.

Constructor & Destructor Documentation

IMP::core::KClosePairsPairScore::KClosePairsPairScore	(	PairScore *	f,
		Refiner *	r,
		int	k = 1
	)

only score the k closest pairs.

Member Function Documentation

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

virtual

Overload this method to specify the inputs.

Reimplemented from IMP::kernel::ParticleInputs.

double IMP::core::KClosePairsPairScore::evaluate_if_good_indexes ( kernel::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.

Reimplemented from IMP::kernel::PairScore.

Definition at line 64 of file ClosePairsPairScore.h.

double IMP::core::KClosePairsPairScore::evaluate_indexes ( kernel::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.

Reimplemented from IMP::kernel::PairScore.

Definition at line 64 of file ClosePairsPairScore.h.

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

• ClosePairsPairScore.h