IMP  2.3.0
The Integrative Modeling Platform
IMP::core::HarmonicDistancePairScore Class Reference

#include <IMP/core/DistancePairScore.h>

+ Inheritance diagram for IMP::core::HarmonicDistancePairScore:

Detailed Description

Score a pair of particles based on their distance using a Harmonic. This is faster than DistancePairScore if you are using a Harmonic.

Definition at line 35 of file core/DistancePairScore.h.

Public Member Functions

 HarmonicDistancePairScore (double x0, double k, std::string name="HarmonicDistancePairScore%1%")
 
kernel::ModelObjectsTemp do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
 
double evaluate_index (kernel::Model *m, const kernel::ParticleIndexPair &pip, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed. More...
 
virtual std::string get_type_name () const
 
virtual ::IMP::base::VersionInfo get_version_info () const
 Get information about the module and version of the object. More...
 
- Public Member Functions inherited from IMP::kernel::PairScore
 PairScore (std::string name="PairScore %1%")
 
Restraints create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const
 
virtual double evaluate (const kernel::ParticlePair &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed. More...
 
virtual double evaluate_if_good_index (kernel::Model *m, const kernel::ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const
 Compute the score and the derivative if needed. More...
 
virtual double evaluate_if_good_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
virtual double evaluate_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &o, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
 Compute the score and the derivative if needed over a set. More...
 
- 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 ()
 
CheckLevel get_check_level () const
 
LogLevel get_log_level () const
 
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::PairScore
typedef kernel::ParticlePair Argument
 
typedef kernel::ParticleIndexPair IndexArgument
 
typedef PairModifier Modifier
 
typedef const
kernel::ParticlePair
PassArgument
 
typedef const
kernel::ParticleIndexPair
PassIndexArgument
 
- Protected Member Functions inherited from IMP::kernel::PairScore
virtual Restraints do_create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Member Function Documentation

kernel::ModelObjectsTemp IMP::core::HarmonicDistancePairScore::do_get_inputs ( kernel::Model m,
const kernel::ParticleIndexes pis 
) const
virtual

Overload this method to specify the inputs.

Reimplemented from IMP::kernel::ParticleInputs.

double IMP::core::HarmonicDistancePairScore::evaluate_index ( kernel::Model m,
const kernel::ParticleIndexPair vt,
DerivativeAccumulator da 
) const
virtual

Compute the score and the derivative if needed.

evaluate the score and the derivative if needed over vt

Parameters
mthe model of vt
vtthe index in m of an object of type ParticlePair
daa derivative accumulator that reweighting computed derivatives. If nullptr, derivatives will not be computed

Reimplemented from IMP::kernel::PairScore.

virtual ::IMP::base::VersionInfo IMP::core::HarmonicDistancePairScore::get_version_info ( ) const
virtual

Get information about the module and version of the object.

Reimplemented from IMP::base::Object.

Definition at line 35 of file core/DistancePairScore.h.


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