IMP  2.1.0
The Integrative Modeling Platform
IMP::kernel::TripletScore Class Reference

Abstract score function. More...

#include <IMP/kernel/TripletScore.h>

+ Inheritance diagram for IMP::kernel::TripletScore:

Public Types

typedef ParticleTriplet Argument
 
typedef ParticleIndexTriplet IndexArgument
 
typedef TripletModifier Modifier
 
typedef const ParticleTripletPassArgument
 
typedef const
ParticleIndexTriplet
PassIndexArgument
 

Public Member Functions

 TripletScore (std::string name="TripletScore %1%")
 
Restraints create_current_decomposition (kernel::Model *m, const ParticleIndexTriplet &vt) const
 
virtual double evaluate (const ParticleTriplet &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed. More...
 
virtual double evaluate_if_good_index (kernel::Model *m, const ParticleIndexTriplet &vt, DerivativeAccumulator *da, double max) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_if_good_indexes (kernel::Model *m, const ParticleIndexTriplets &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
virtual double evaluate_index (kernel::Model *m, const ParticleIndexTriplet &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_indexes (kernel::Model *m, const ParticleIndexTriplets &o, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
 
- Public Member Functions inherited from IMP::kernel::ParticleInputs
virtual ContainersTemp get_input_containers (Particle *p) const
 
virtual ParticlesTemp get_input_particles (Particle *p) const
 
ModelObjectsTemp get_inputs (kernel::Model *m, const ParticleIndexes &pis) const
 
- 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
 
virtual VersionInfo get_version_info () const
 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)
 
virtual std::string get_type_name () const
 

Protected Member Functions

virtual Restraints do_create_current_decomposition (kernel::Model *m, const ParticleIndexTriplet &vt) const
 
- Protected Member Functions inherited from IMP::kernel::ParticleInputs
virtual ModelObjectsTemp do_get_inputs (kernel::Model *m, const ParticleIndexes &pis) const
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
 Object ()
 

Detailed Description

TripletScores will evaluate the score and derivatives for the passed particles. Use in conjunction with various restraints such as IMP::core::TripletsRestraint or IMP::core::TripletRestraint.

Implementers should check out IMP_TRIPLET_SCORE().

Definition at line 33 of file kernel/TripletScore.h.

Member Function Documentation

Restraints IMP::kernel::TripletScore::create_current_decomposition ( kernel::Model m,
const ParticleIndexTriplet vt 
) const

Decompose this pair score acting on the pair into a set of restraints. The scoring function and derivatives should be equal to the current score. The defualt implementation just returns this object bound to the pair.

virtual Restraints IMP::kernel::TripletScore::do_create_current_decomposition ( kernel::Model m,
const ParticleIndexTriplet vt 
) const
protectedvirtual

Overide this to return your own decomposition.

virtual double IMP::kernel::TripletScore::evaluate ( const ParticleTriplet vt,
DerivativeAccumulator da 
) const
virtual
Deprecated:
As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Use the index-based evaluate instead.
virtual double IMP::kernel::TripletScore::evaluate_if_good_indexes ( kernel::Model m,
const ParticleIndexTriplets o,
DerivativeAccumulator da,
double  max,
unsigned int  lower_bound,
unsigned int  upper_bound 
) const
virtual

Implementations for these are provided by the IMP_TRIPLET_SCORE() macro.

Reimplemented in IMP::container::MinimumTripletScore, and IMP::core::AngleTripletScore.

virtual double IMP::kernel::TripletScore::evaluate_indexes ( kernel::Model m,
const ParticleIndexTriplets o,
DerivativeAccumulator da,
unsigned int  lower_bound,
unsigned int  upper_bound 
) const
virtual

Implementations for these are provided by the IMP_TRIPLET_SCORE() macro.

Reimplemented in IMP::container::MinimumTripletScore, and IMP::core::AngleTripletScore.


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