IMP Reference Guide  develop.97bab1d8fd,2021/09/21 The Integrative Modeling Platform
IMP::core::AngleTripletScore Class Reference

Apply a function to the angle between three particles. More...

#include <IMP/core/AngleTripletScore.h>

Inheritance diagram for IMP::core::AngleTripletScore:

## Detailed Description

Apply a function to the angle between three particles.

Definition at line 22 of file AngleTripletScore.h.

## Public Member Functions

AngleTripletScore (UnaryFunction *f)
Score the angle (in radians) using f. More...

virtual ModelObjectsTemp do_get_inputs (Model *m, const ParticleIndexes &pis) const
Overload this method to specify the inputs. More...

double evaluate_if_good_indexes (Model *m, const ParticleIndexTriplets &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const

virtual double evaluate_index (Model *m, const ParticleIndexTriplet &pi, DerivativeAccumulator *da) const
Compute the score and the derivative if needed. More...

double evaluate_indexes (Model *m, const ParticleIndexTriplets &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
Compute the score and the derivative if needed over a set. More...

double evaluate_indexes_scores (Model *m, const ParticleIndexTriplets &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double > &score, std::vector< double > &last_score) const
Compute the score and the derivative if needed over a set. More...

double evaluate_indexes_scores (Model *m, const ParticleIndexTriplets &p, DerivativeAccumulator *da, const std::vector< unsigned > &indexes, std::vector< double > &score, std::vector< double > &last_score) const
Compute the score and the derivative if needed over a set. More...

virtual std::string get_type_name () const

virtual ::IMP::VersionInfo get_version_info () const
Get information about the module and version of the object. More...

Public Member Functions inherited from IMP::TripletScore
TripletScore (std::string name="TripletScore %1%")

Restraints create_current_decomposition (Model *m, const ParticleIndexTriplet &vt) const

virtual double evaluate_if_good_index (Model *m, const ParticleIndexTriplet &vt, DerivativeAccumulator *da, double max) const
Compute the score and the derivative if needed, only if "good". More...

Public Member Functions inherited from IMP::ParticleInputs
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) const
Get the ModelObjects read when the given list of particles is used. More...

Public Member Functions inherited from IMP::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)

Public Types inherited from IMP::TripletScore
typedef ParticleTriplet Argument

typedef ParticleIndexTriplet IndexArgument

typedef TripletModifier Modifier

typedef const ParticleTripletPassArgument

typedef const
ParticleIndexTriplet
PassIndexArgument

Protected Member Functions inherited from IMP::TripletScore
virtual Restraints do_create_current_decomposition (Model *m, const ParticleIndexTriplet &vt) const
Override this to return your own decomposition. More...

Protected Member Functions inherited from IMP::Object
Object (std::string name)
Construct an object with the given name. More...

virtual void do_destroy ()

## Constructor & Destructor Documentation

 IMP::core::AngleTripletScore::AngleTripletScore ( UnaryFunction * f )

Score the angle (in radians) using f.

## Member Function Documentation

 virtual ModelObjectsTemp IMP::core::AngleTripletScore::do_get_inputs ( Model * m, const ParticleIndexes & pis ) const
virtual

Overload this method to specify the inputs.

Implements IMP::ParticleInputs.

 double IMP::core::AngleTripletScore::evaluate_if_good_indexes ( Model * m, const ParticleIndexTriplets & o, DerivativeAccumulator * da, double max, unsigned int lower_bound, unsigned int upper_bound ) const
virtual

Compute the score and the derivative if needed over a set, only if "good". This functions similarly to evaluate_indexes(), but may terminate the computation early if the total score is higher than max.

Returns
the score if score<= max or some arbitrary value > max otherwise.
Note
Implementations for these are provided by the IMP_TRIPLET_SCORE() macro.

Reimplemented from IMP::TripletScore.

Definition at line 33 of file AngleTripletScore.h.

 virtual double IMP::core::AngleTripletScore::evaluate_index ( Model * m, const ParticleIndexTriplet & vt, DerivativeAccumulator * da ) const
virtual

Compute the score and the derivative if needed.

Parameters
 m the model of vt vt the index in m of an object of type ParticleTriplet da a DerivativeAccumulator that weights computed derivatives. If nullptr, derivatives will not be computed.

Implements IMP::TripletScore.

 double IMP::core::AngleTripletScore::evaluate_indexes ( Model * m, const ParticleIndexTriplets & o, DerivativeAccumulator * da, unsigned int lower_bound, unsigned int upper_bound ) const
virtual

Compute the score and the derivative if needed over a set.

Parameters
 m the model of o o objects of type ParticleTriplet, specified by index da a derivative accumulator that weights computed derivatives. If nullptr, derivatives will not be computed. lower_bound index of first item in o to evaluate upper_bound index of last item in o to evaluate
Note
Implementations for these are provided by the IMP_TRIPLET_SCORE() macro.

Reimplemented from IMP::TripletScore.

Definition at line 33 of file AngleTripletScore.h.

 double IMP::core::AngleTripletScore::evaluate_indexes_scores ( Model * m, const ParticleIndexTriplets & o, DerivativeAccumulator * da, const std::vector< unsigned > & indexes, std::vector< double > & score, std::vector< double > & last_score ) const
virtual

Compute the score and the derivative if needed over a set.

The score for each o[indexes[x]] is returned in score[indexes[x]] and the total score is also returned.

Reimplemented from IMP::TripletScore.

Definition at line 33 of file AngleTripletScore.h.

 double IMP::core::AngleTripletScore::evaluate_indexes_scores ( Model * m, const ParticleIndexTriplets & o, DerivativeAccumulator * da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double > & score, std::vector< double > & last_score ) const
virtual

Compute the score and the derivative if needed over a set.

Like regular evaluate_indexes(), but the score for each o[x] is also returned as score[x].

Reimplemented from IMP::TripletScore.

Definition at line 33 of file AngleTripletScore.h.

 virtual ::IMP::VersionInfo IMP::core::AngleTripletScore::get_version_info ( ) const
virtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 34 of file AngleTripletScore.h.

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