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IMP Reference Guide  develop.83df1cabcf,2021/06/15
The Integrative Modeling Platform
IMP::container::PredicateQuadsRestraint Class Reference

Applies a QuadScore to each Quad in a list based on a predicate. More...

#include <IMP/container/PredicateQuadsRestraint.h>

+ Inheritance diagram for IMP::container::PredicateQuadsRestraint:

Detailed Description

Applies a QuadScore to each Quad in a list based on a predicate.

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 47 of file PredicateQuadsRestraint.h.

Public Member Functions

 PredicateQuadsRestraint (QuadPredicate *pred, QuadContainerAdaptor input, std::string name="PredicateQuadsRestraint %1%")
 
void do_add_score_and_derivatives (IMP::ScoreAccumulator sa) const
 A restraint should override this to compute the score and derivatives. More...
 
IMP::ModelObjectsTemp do_get_inputs () const
 
ParticleIndexQuads get_indexes (int predicate_value) const
 
virtual std::string get_type_name () const
 
virtual ::IMP::VersionInfo get_version_info () const
 Get information about the module and version of the object. More...
 
void set_is_complete (bool tf)
 
void set_is_get_inputs_ignores_individual_scores (bool is_ignore)
 
void set_score (int predicate_value, QuadScore *score)
 
void set_unknown_score (QuadScore *score)
 
- Public Member Functions inherited from IMP::Restraint
 Restraint (Model *m, std::string name)
 
void add_score_and_derivatives (ScoreAccumulator sa) const
 Perform the actual restraint scoring. More...
 
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
 Create a scoring function with only this restraint. More...
 
virtual RestraintInfoget_dynamic_info () const
 
virtual double get_last_score () const
 
double get_score () const
 
virtual RestraintInfoget_static_info () 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::ModelObject
 ModelObject (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...
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTempget_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::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

- Protected Member Functions inherited from IMP::Restraint
virtual Restraints do_create_decomposition () const
 
ModelObjectsTemp do_get_outputs () const
 
- Protected Member Functions inherited from IMP::ModelObject
virtual ModelObjectsTemps do_get_interactions () const
 
virtual void handle_set_has_required_score_states (bool)
 
- Protected Member Functions inherited from IMP::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Member Function Documentation

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

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

Reimplemented from IMP::Restraint.

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

Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.

Implements IMP::ModelObject.

ParticleIndexQuads IMP::container::PredicateQuadsRestraint::get_indexes ( int  predicate_value) const

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

Definition at line 92 of file PredicateQuadsRestraint.h.

virtual ::IMP::VersionInfo IMP::container::PredicateQuadsRestraint::get_version_info ( ) const
virtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 109 of file PredicateQuadsRestraint.h.

void IMP::container::PredicateQuadsRestraint::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 even if set_unknown_score() was not called.

Definition at line 89 of file PredicateQuadsRestraint.h.

void IMP::container::PredicateQuadsRestraint::set_is_get_inputs_ignores_individual_scores ( bool  is_ignore)

use at own risk - for efficiency in case e.g. all scores use same inputs If true, do_get_inputs() includes all inputs in input container but not individual inputs from individual scores

Definition at line 105 of file PredicateQuadsRestraint.h.

void IMP::container::PredicateQuadsRestraint::set_score ( int  predicate_value,
QuadScore score 
)

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

void IMP::container::PredicateQuadsRestraint::set_unknown_score ( QuadScore score)

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


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