IMP  2.0.0
The Integrative Modeling Platform
IMP::multifit::WeightedExcludedVolumeRestraint Class Reference

Calculate score based on fit to EM map.

#include <IMP/multifit/WeightedExcludedVolumeRestraint.h>

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

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::kernel::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
 
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::kernel::DerivativeAccumulator *accum) 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)
 

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

Definition at line 30 of file WeightedExcludedVolumeRestraint.h.

Constructor & Destructor Documentation

IMP::multifit::WeightedExcludedVolumeRestraint::WeightedExcludedVolumeRestraint ( core::RigidBodies  rbs,
Refiner refiner,
FloatKey  weight_key = IMP::atom::Mass::get_mass_key() 
)
Parameters
[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
Note
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::kernel::ModelObjectsTemp IMP::multifit::WeightedExcludedVolumeRestraint::do_get_inputs ( ) const
virtual

Override if this reads other objects during evaluate.

Implements IMP::kernel::ModelObject.


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