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

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 (kernel::Model *m, const ParticleIndexPair &vt) const
 
virtual double evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed. More...
 
virtual double evaluate_if_good_index (kernel::Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_if_good_indexes (kernel::Model *m, const ParticleIndexPairs &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
virtual double evaluate_index (kernel::Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
virtual double evaluate_indexes (kernel::Model *m, const ParticleIndexPairs &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 ParticleIndexPair &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

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 ( kernel::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 ( kernel::Model m,
const ParticleIndexPair vt 
) const
protectedvirtual

Overide this to return your own decomposition.

virtual double IMP::kernel::PairScore::evaluate ( const ParticlePair 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.

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