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IMP Reference Guide  2.7.0
The Integrative Modeling Platform
IMP::multifit::WeightedExcludedVolumeRestraint Class Reference

Calculate score based on fit to EM map. More...

#include <IMP/multifit/WeightedExcludedVolumeRestraint.h>

+ Inheritance diagram for IMP::multifit::WeightedExcludedVolumeRestraint:

Detailed Description

Calculate score based on fit to EM map.

Definition at line 29 of file WeightedExcludedVolumeRestraint.h.

Public Member Functions

 WeightedExcludedVolumeRestraint (core::RigidBodies rbs, Refiner *refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key())
 Constructor. More...
unsigned int add_particle (Particle *obj)
void add_particles (const Particles &objs)
void clear_particles ()
virtual IMP::ModelObjectsTemp do_get_inputs () const
bool get_has_particles ()
unsigned int get_number_of_particles () const
Particleget_particle (unsigned int i) const
Particles get_particles () 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 remove_particle (Particle *d)
void remove_particles (const Particles &d)
void reserve_particles (unsigned int sz)
void set_particles (const Particles &ps)
void set_particles_order (const Particles &objs)
virtual double unprotected_evaluate (IMP::DerivativeAccumulator *accum) const
- 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 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::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 void do_add_score_and_derivatives (ScoreAccumulator sa) const
 A restraint should override this to compute the score and derivatives. More...
virtual Restraints do_create_current_decomposition () const
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 ()

Constructor & Destructor Documentation

IMP::multifit::WeightedExcludedVolumeRestraint::WeightedExcludedVolumeRestraint ( core::RigidBodies  rbs,
Refiner refiner,
FloatKey  weight_key = IMP::atom::Mass::get_mass_key() 


[in]rbsExcluded volume will be calculated between these Rigid bodies
[in]refinerrigid body refiner
[in]weight_keythe name of the weight attribute of the particles
Particles that are rigid-bodies are interpolated and not resampled. This significantly reduces the running time but is less accurate.

Member Function Documentation

virtual IMP::ModelObjectsTemp IMP::multifit::WeightedExcludedVolumeRestraint::do_get_inputs ( ) const

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.

virtual ::IMP::VersionInfo IMP::multifit::WeightedExcludedVolumeRestraint::get_version_info ( ) const

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 48 of file WeightedExcludedVolumeRestraint.h.

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