IMP  2.2.0
The Integrative Modeling Platform
IMP::multifit::RadiusOfGyrationRestraint Class Reference

Ensure the radius of gyration of particles fits the predicted one. More...

#include <IMP/multifit/RadiusOfGyrationRestraint.h>

+ Inheritance diagram for IMP::multifit::RadiusOfGyrationRestraint:

Public Member Functions

 RadiusOfGyrationRestraint (kernel::Particles ps, int num_residues, Float scale=1.)
 Constructor. More...
 
unsigned int add_particle (kernel::Particle *obj)
 
void add_particles (const kernel::Particles &objs)
 
void clear_particles ()
 
virtual
IMP::kernel::ModelObjectsTemp 
do_get_inputs () const
 
bool get_has_particles ()
 
unsigned int get_number_of_particles () const
 
kernel::Particleget_particle (unsigned int i) const
 
kernel::Particles get_particles () const
 
Float get_radius_of_gyration ()
 Get the predicted radius of gyration used in the restraint.
 
virtual std::string get_type_name () const
 
virtual ::IMP::base::VersionInfo get_version_info () const
 Get information about the module and version of the object.
 
void remove_particle (kernel::Particle *d)
 
void remove_particles (const kernel::Particles &d)
 
void reserve_particles (unsigned int sz)
 
void set_particles (const kernel::Particles &ps)
 
void set_particles_order (const kernel::Particles &objs)
 
void set_radius_of_gyration (Float r)
 Set the predicted radius of gyration used in the restraint.
 
virtual double unprotected_evaluate (IMP::kernel::DerivativeAccumulator *accum) const
 
- Public Member Functions inherited from IMP::kernel::Restraint
 Restraint (kernel::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
 
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 (kernel::Model *m, std::string name)
 
bool get_has_dependencies () const
 Return whether this object has dependencies computed.
 
bool get_has_required_score_states () const
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTempget_required_score_states () const
 
void set_has_dependencies (bool tf)
 
void set_has_required_score_states (bool tf)
 
- Public Member Functions inherited from IMP::base::Object
virtual void clear_caches ()
 
virtual void do_destroy ()
 
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)
 

Protected Attributes

base::Pointer
< core::HarmonicUpperBound
hub_
 
kernel::Modelmdl_
 
Float predicted_rog_
 
Float scale_
 

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
 
- Protected Member Functions inherited from IMP::kernel::ModelObject
virtual ModelObjectsTemps do_get_interactions () const
 
virtual void handle_set_has_required_score_states (bool)
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 

Detailed Description

/note a harmonic upper bound is applied between the predicted radius and the actual radius

Definition at line 27 of file multifit/RadiusOfGyrationRestraint.h.

Constructor & Destructor Documentation

IMP::multifit::RadiusOfGyrationRestraint::RadiusOfGyrationRestraint ( kernel::Particles  ps,
int  num_residues,
Float  scale = 1. 
)
Parameters
[in]psthe particles to work on
[in]num_residuesthe number of residues the particles represent
[in]scaleallow the radius of gyration of the particles to be at most scale times the predicted one

Member Function Documentation

virtual IMP::kernel::ModelObjectsTemp IMP::multifit::RadiusOfGyrationRestraint::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::kernel::ModelObject.


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