IMP  2.0.0
The Integrative Modeling Platform
IMP::core::GenericDistanceToSingletonScore< UF > Class Template Reference

Apply a function to the distance to a fixed point. More...

#include <IMP/core/DistanceToSingletonScore.h>

+ Inheritance diagram for IMP::core::GenericDistanceToSingletonScore< UF >:

Public Member Functions

 GenericDistanceToSingletonScore (UF *f, const algebra::Vector3D &pt)
 
virtual void do_show (std::ostream &out) const
 
- Public Member Functions inherited from IMP::kernel::SingletonScore
 SingletonScore (std::string name="SingletonScore %1%")
 
Restraints create_current_decomposition (Model *m, ParticleIndex vt) const
 
virtual double evaluate (Particle *vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_if_good_index (Model *m, ParticleIndex vt, DerivativeAccumulator *da, double max) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_if_good_indexes (Model *m, const ParticleIndexes &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
virtual double evaluate_index (Model *m, ParticleIndex vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_indexes (Model *m, const ParticleIndexes &o, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
 
ContainersTemp get_input_containers (Particle *p) const
 
ParticlesTemp get_input_particles (Particle *p) const
 
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) 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

- Public Types inherited from IMP::kernel::SingletonScore
typedef ParticleArgument
 
typedef ParticleIndex IndexArgument
 
typedef SingletonModifier Modifier
 
typedef ParticlePassArgument
 
typedef ParticleIndex PassIndexArgument
 
- Protected Member Functions inherited from IMP::kernel::SingletonScore
virtual Restraints do_create_current_decomposition (Model *m, ParticleIndex vt) const
 
virtual ModelObjectsTemp do_get_inputs (Model *m, const ParticleIndexes &pis) const =0
 

Detailed Description

template<class UF>
class IMP::core::GenericDistanceToSingletonScore< UF >

A particle is scored based on the distance between it and a constant point as passed to a UnaryFunction. This is useful for anchoring constraining particles within a sphere.

To restrain a set of particles store in SingletonContainer pc in a sphere do the following: ## \example container/restrain_in_sphere.py ## This fragment shows how to restrain a set of points stored in a SingletonContainer in a sphere of radius 'radius' centered around 'center'. import IMP.example radius=10 stiffness=2 center= IMP.algebra.Vector3D(1,2,3) (m,c)=IMP.example.create_model_and_particles() ub= IMP.core.HarmonicUpperBound(radius, stiffness) # Restrain based on the distance to a single point (hence a ball ss= IMP.core.DistanceToSingletonScore(ub, center) r= IMP.container.SingletonsRestraint(ss, c) m.add_restraint(r) m.evaluate(False)

Definition at line 34 of file DistanceToSingletonScore.h.


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