IMP  2.4.0
The Integrative Modeling Platform
Public Member Functions | List of all members
IMP::core::AngleRestraint Class Reference

Angle restraint between three particles. More...

#include <IMP/core/AngleRestraint.h>

+ Inheritance diagram for IMP::core::AngleRestraint:

Detailed Description

Angle restraint between three particles.

See Also
AngleTripletScore

Definition at line 24 of file AngleRestraint.h.

Public Member Functions

 AngleRestraint (UnaryFunction *score_func, kernel::Particle *p1, kernel::Particle *p2, kernel::Particle *p3)
 Create the angle restraint. More...
 
 AngleRestraint (UnaryFunction *score_func, XYZ p0, XYZ p1, XYZ p2)
 
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. More...
 
- Public Member Functions inherited from IMP::core::TripletRestraint
 TripletRestraint (TripletScore *ss, const kernel::ParticleTriplet &vt, std::string name="TripletRestraint %1%")
 Create the restraint. More...
 
 TripletRestraint (kernel::Model *m, TripletScore *ss, const kernel::ParticleIndexTriplet &vt, std::string name="TripletRestraint %1%")
 Create the restraint. More...
 
- Public Member Functions inherited from IMP::kernel::Restraint
 Restraint (kernel::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::kernel::ModelObject
 ModelObject (kernel::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::base::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::core::TripletRestraint
IMP::kernel::ModelObjectsTemp do_get_inputs () const
 
double unprotected_evaluate (IMP::DerivativeAccumulator *accum) const
 
- 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...
 
virtual void do_destroy ()
 

Constructor & Destructor Documentation

IMP::core::AngleRestraint::AngleRestraint ( UnaryFunction score_func,
kernel::Particle p1,
kernel::Particle p2,
kernel::Particle p3 
)

Create the angle restraint.

Parameters
[in]score_funcScoring function for the restraint.
[in]p1Pointer to first particle in angle restraint.
[in]p2Pointer to second particle in angle restraint.
[in]p3Pointer to third particle in angle restraint.

Member Function Documentation

virtual ::IMP::base::VersionInfo IMP::core::AngleRestraint::get_version_info ( ) const
virtual

Get information about the module and version of the object.

Reimplemented from IMP::core::TripletRestraint.

Definition at line 37 of file AngleRestraint.h.


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