IMP  2.0.0
The Integrative Modeling Platform
IMP::container::PredicatePairsRestraint Class Reference

Applies a PairScore to each Pair in a list based on a predicate. More...

#include <IMP/container/PredicatePairsRestraint.h>

+ Inheritance diagram for IMP::container::PredicatePairsRestraint:

Public Member Functions

 PredicatePairsRestraint (PairPredicate *pred, PairContainerAdaptor input, std::string name="PredicatePairsRestraint %1%")
 
void do_add_score_and_derivatives (IMP::ScoreAccumulator sa) const
 
IMP::ModelObjectsTemp do_get_inputs () const
 
ParticleIndexPairs get_indexes (int predicate_value) const
 
void set_is_complete (bool tf)
 
template<class Score >
void set_score (int predicate_value, Score *score)
 
template<class Score >
void set_unknown_score (Score *score)
 
- Public Member Functions inherited from IMP::kernel::Restraint
 Restraint (Model *m, std::string name)
 
void add_score_and_derivatives (ScoreAccumulator sa) const
 
Restraintcreate_current_decomposition () const
 Decompose this restraint into constituent terms for the current conf. More...
 
Restraintcreate_decomposition () const
 Decompose this restraint into constituent terms. More...
 
virtual ScoringFunctioncreate_scoring_function (double weight=1.0, double max=NO_MAX) const
 
ContainersTemp get_input_containers () const
 
ParticlesTemp get_input_particles () const
 
virtual double get_last_score () const
 
double get_score () const
 
bool get_was_good () const
 
void set_weight (Float weight)
 
Float get_weight () const
 
double get_maximum_score () const
 
void set_maximum_score (double s)
 
- Public Member Functions inherited from IMP::kernel::ModelObject
 ModelObject (Model *m, std::string name)
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () 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)
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::kernel::Restraint
virtual Restraints do_create_decomposition () const
 
ModelObjectsTemp do_get_outputs () const
 
virtual void do_update_dependencies ()
 

Detailed Description

This restraint uses a passed predicate to choose which score to apply to each tuple in the input container. The selections are cached, making it substantially faster than using a core::TypedPairScore.

Note
The ordering of particles within a tuple may vary depending on the input container used. You may need to call set_score() with several different predicate values for different orderings.

Definition at line 37 of file PredicatePairsRestraint.h.

Member Function Documentation

void IMP::container::PredicatePairsRestraint::do_add_score_and_derivatives ( IMP::ScoreAccumulator  sa) const
virtual

A restraint should override this to compute the score and derivatives.

Reimplemented from IMP::kernel::Restraint.

IMP::ModelObjectsTemp IMP::container::PredicatePairsRestraint::do_get_inputs ( ) const
virtual

Override if this reads other objects during evaluate.

Implements IMP::kernel::ModelObject.

ParticleIndexPairs IMP::container::PredicatePairsRestraint::get_indexes ( int  predicate_value) const

return the indexes of all particles for a given predicate value.

Definition at line 108 of file PredicatePairsRestraint.h.

void IMP::container::PredicatePairsRestraint::set_is_complete ( bool  tf)

By default, it is an error if the predicate returns a value that is not known. If this is false, then they are silently skipped.

Definition at line 101 of file PredicatePairsRestraint.h.

template<class Score >
void IMP::container::PredicatePairsRestraint::set_score ( int  predicate_value,
Score *  score 
)

Apply the passed score to all pairs whose predicate values match the passed value.

This version uses the container::create_restraint() function and so is more efficient than the non-template version.

Definition at line 63 of file PredicatePairsRestraint.h.

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template<class Score >
void IMP::container::PredicatePairsRestraint::set_unknown_score ( Score *  score)

Apply this score to any pair whose predicate value does not match one passed to set_score().

Definition at line 78 of file PredicatePairsRestraint.h.

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