IMP  2.0.0
The Integrative Modeling Platform
IMP::kernel::RestraintSet Class Reference

Object used to hold a set of restraints. More...

#include "IMP/RestraintSet.h"

+ Inheritance diagram for IMP::kernel::RestraintSet:

Public Member Functions

 RestraintSet (Model *m, double weight, const std::string &name="RestraintSet %1%")
 Create an empty set that is registered with the model.
 
 RestraintSet (const RestraintsTemp &rs, double weight, const std::string &name="RestraintSet %1%")
 Create a set that is registered with the model.
 
std::pair< RestraintsTemp,
RestraintSetsTemp
get_non_sets_and_sets () const
 
double unprotected_evaluate (DerivativeAccumulator *da) const
 
- 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)
 

Related Functions

(Note that these are not member functions.)

typedef IMP::base::Vector
< IMP::base::WeakPointer
< RestraintSet > > 
RestraintSetsTemp
 

Methods to control the nested Restraint objects

This container manages a set of Restraint objects. To manipulate the stored set use the methods below.

void remove_restraint (Restraint *d)
 
void remove_restraints (const Restraints &d)
 
void set_restraints (const Restraints &ps)
 
void set_restraints_order (const Restraints &objs)
 
unsigned int add_restraint (Restraint *obj)
 
void add_restraints (const Restraints &objs)
 
void clear_restraints ()
 
unsigned int get_number_of_restraints () const
 
bool get_has_restraints ()
 
Restraintget_restraint (unsigned int i) const
 
Restraints get_restraints () const
 
void reserve_restraints (unsigned int sz)
 

Additional Inherited Members

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

Detailed Description

RestraintSets allow one to define a tree of restraints and to weight various restraints. Upon evaluation, all of the restraints in RestraintSets that have been added to the model are evaluated using the provided weight (weights are multiplicative when RestraintSets are nested).

If the weight is 0, the restraints are not evaluated.

Note
Restraints can belong to multiple RestraintSets. The total effect is simply one of adding up the weights.
Advanced:

Talk to Daniel if you want to inherit from RestraintSet.

Definition at line 37 of file kernel/declare_RestraintSet.h.

Member Function Documentation

std::pair<RestraintsTemp, RestraintSetsTemp> IMP::kernel::RestraintSet::get_non_sets_and_sets ( ) const

Divide the list of contained restraints into sets and non-sets.

Friends And Related Function Documentation

Pass a set of objects.

Definition at line 72 of file kernel/base_types.h.


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