IMP  2.0.1
The Integrative Modeling Platform
IMP::kernel::PairScore Class Referenceabstract

Abstract score function. More...

#include <IMP/kernel/PairScore.h>

+ Inheritance diagram for IMP::kernel::PairScore:

Public Types

typedef ParticlePair Argument
 
typedef ParticleIndexPair IndexArgument
 
typedef PairModifier Modifier
 
typedef const ParticlePairPassArgument
 
typedef const ParticleIndexPairPassIndexArgument
 

Public Member Functions

 PairScore (std::string name="PairScore %1%")
 
Restraints create_current_decomposition (Model *m, const ParticleIndexPair &vt) const
 
virtual double evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_if_good_index (Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_if_good_indexes (Model *m, const ParticleIndexPairs &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
virtual double evaluate_index (Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_indexes (Model *m, const ParticleIndexPairs &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)
 

Protected Member Functions

virtual Restraints do_create_current_decomposition (Model *m, const ParticleIndexPair &vt) const
 
virtual ModelObjectsTemp do_get_inputs (Model *m, const ParticleIndexes &pis) const =0
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 

Related Functions

(Note that these are not member functions.)

typedef IMP::base::Vector
< IMP::base::WeakPointer
< PairScore > > 
PairScoresTemp
 

Detailed Description

PairScores will evaluate the score and derivatives for the passed particles. Use in conjunction with various restraints such as IMP::core::PairsRestraint or IMP::core::PairRestraint.

Implementers should check out IMP_PAIR_SCORE().

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

Member Function Documentation

Restraints IMP::kernel::PairScore::create_current_decomposition ( Model m,
const ParticleIndexPair 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::PairScore::do_create_current_decomposition ( Model m,
const ParticleIndexPair vt 
) const
protectedvirtual

Overide this to return your own decomposition.

virtual ModelObjectsTemp IMP::kernel::PairScore::do_get_inputs ( Model m,
const ParticleIndexes pis 
) const
protectedpure virtual

Override if this reads other objects during evaluate.

virtual double IMP::kernel::PairScore::evaluate_if_good_indexes ( Model m,
const ParticleIndexPairs o,
DerivativeAccumulator da,
double  max,
unsigned int  lower_bound,
unsigned int  upper_bound 
) const
virtual

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

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

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

ContainersTemp IMP::kernel::PairScore::get_input_containers ( Particle p) const

Get the set of input containers when this modifier is applied to the arguments.

Deprecated:
use get_outputs() instead.
ParticlesTemp IMP::kernel::PairScore::get_input_particles ( Particle p) const

Get the set of particles read when applied to the arguments.

Deprecated:
use get_inputs() instead.
ModelObjectsTemp IMP::kernel::PairScore::get_inputs ( Model m,
const ParticleIndexes pis 
) const

Get all the ModelObject objects that are read when the referenced particles are passed in.

Friends And Related Function Documentation

Pass a set of objects.

Definition at line 97 of file kernel/base_types.h.


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