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IMP Reference Guide  develop.45c11de31d,2024/03/27
The Integrative Modeling Platform
IMP::core::RigidBodyDistancePairScore Class Reference

Accelerated computation of the distance between two rigid bodies. More...

#include <IMP/core/RigidBodyDistancePairScore.h>

+ Inheritance diagram for IMP::core::RigidBodyDistancePairScore:

Detailed Description

Accelerated computation of the distance between two rigid bodies.

Rigid bodies are made of a collection of particles whose internal relationships don't change. The distance between two rigid bodies can be defined as the minimal distance over all bipartite pairs with one particle taken from each rigid body. This computation can be accelerated (similarly to the RigidClosePairsFinder). The passed PairScore is then applied to this minimal pair to give the returned score.

Definition at line 29 of file RigidBodyDistancePairScore.h.

Public Member Functions

 RigidBodyDistancePairScore (PairScore *ps, Refiner *r)
 
- Public Member Functions inherited from IMP::core::KClosePairsPairScore
 KClosePairsPairScore (PairScore *f, Refiner *r, int k=1)
 only score the k closest pairs. More...
 
Restraints create_current_decomposition (Model *m, const ParticleIndexPair &vt) const
 
virtual ModelObjectsTemp do_get_inputs (Model *m, const ParticleIndexes &pis) const override
 Overload this method to specify the inputs. More...
 
virtual double evaluate_if_good_index (Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const override
 Compute the score and the derivative if needed, only if "good". More...
 
double evaluate_if_good_indexes (Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const override
 
virtual double evaluate_index (Model *m, const ParticleIndexPair &p, DerivativeAccumulator *da) const override
 Compute the score and the derivative if needed. More...
 
double evaluate_indexes (Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const overridefinal
 Compute the score and the derivative if needed over a set. More...
 
double evaluate_indexes_delta (Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, const std::vector< unsigned > &indexes, std::vector< double > &score) const overridefinal
 Compute the change in score and the derivative if needed over a set. More...
 
double evaluate_indexes_scores (Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double > &score) const overridefinal
 Compute the score and the derivative if needed over a set. More...
 
ParticlePairsTemp get_close_pairs (const ParticlePair &pp) const
 
virtual std::string get_type_name () const override
 
virtual ::IMP::VersionInfo get_version_info () const override
 Get information about the module and version of the object. More...
 
- Public Member Functions inherited from IMP::PairScore
 PairScore (std::string name="PairScore %1%")
 
Restraints create_current_decomposition (Model *m, const ParticleIndexPair &vt) const
 
- Public Member Functions inherited from IMP::ParticleInputs
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) const
 Get the ModelObjects read when the given list of particles is used. More...
 
- Public Member Functions inherited from IMP::Object
virtual void clear_caches ()
 
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::PairScore
typedef ParticlePair Argument
 
typedef ParticleIndexPair IndexArgument
 
typedef PairModifier Modifier
 
typedef const ParticlePairPassArgument
 
typedef const ParticleIndexPairPassIndexArgument
 
- Protected Member Functions inherited from IMP::PairScore
virtual Restraints do_create_current_decomposition (Model *m, const ParticleIndexPair &vt) const
 Override this to return your own decomposition. More...
 
- Protected Member Functions inherited from IMP::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Constructor & Destructor Documentation

IMP::core::RigidBodyDistancePairScore::RigidBodyDistancePairScore ( PairScore ps,
Refiner r 
)

Use the passed refiner for both particles.


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