IMP  2.0.1
The Integrative Modeling Platform
IMP::atom::BondSingletonScore Class Reference

Score the bond based on a UnaryFunction,. More...

#include <IMP/atom/BondSingletonScore.h>

+ Inheritance diagram for IMP::atom::BondSingletonScore:

Public Member Functions

 BondSingletonScore (UnaryFunction *f)
 Use f to penalize deviations in length.
 
virtual void do_show (std::ostream &out) const
 
UnaryFunctionget_unary_function () 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)
 

Related Functions

(Note that these are not member functions.)

typedef IMP::base::Vector
< IMP::base::WeakPointer
< BondSingletonScore > > 
BondSingletonScoresTemp
 

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

The score is based on the difference between the stored length and the actual length and scaled by the stiffness. That is stiffness * (distance-bond_length)

See Also
Bond
Bonded

Definition at line 27 of file BondSingletonScore.h.

Friends And Related Function Documentation

Pass a set of objects.

Definition at line 39 of file BondSingletonScore.h.


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