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IMP Reference Guide  2.21.0
The Integrative Modeling Platform
IMP::npctransport::PoreRadiusSingletonScore Class Reference

#include <IMP/npctransport/PoreRadiusSingletonScore.h>

+ Inheritance diagram for IMP::npctransport::PoreRadiusSingletonScore:

Detailed Description

a harmonic score on the pore radius of a slab particle /see SlabWithPore

Definition at line 23 of file PoreRadiusSingletonScore.h.

Public Member Functions

 PoreRadiusSingletonScore (Float mean, Float k)
 
virtual ModelObjectsTemp do_get_inputs (Model *m, const ParticleIndexes &pis) const override
 Overload this method to specify the inputs. More...
 
void set_k (double k)
 set the coefficient of the score harmonic to k More...
 
- Public Member Functions inherited from IMP::core::GenericAttributeSingletonScore< core::Harmonic >
 GenericAttributeSingletonScore (core::Harmonic *f, FloatKey k)
 Apply function f to attribute k. More...
 
double evaluate_if_good_indexes (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const override
 
virtual double evaluate_index (Model *m, ParticleIndex p, DerivativeAccumulator *da) const override
 Compute the score and the derivative if needed. More...
 
double evaluate_indexes (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const overridefinal
 Compute the score and the derivative if needed over a set. More...
 
double evaluate_indexes_delta (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, const std::vector< unsigned > &indexes, std::vector< double > &score) const overridefinal
 Compute the change in score and the derivative if needed over a set. More...
 
double evaluate_indexes_scores (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double > &score) const overridefinal
 Compute the score and the derivative if needed over a set. More...
 
virtual std::string get_type_name () const override
 
core::Harmonicget_unary_function ()
 get access to the unary function object used for scoring the attribute More...
 
virtual ::IMP::VersionInfo get_version_info () const override
 Get information about the module and version of the object. More...
 
- Public Member Functions inherited from IMP::SingletonScore
 SingletonScore (std::string name="SingletonScore %1%")
 
Restraints create_current_decomposition (Model *m, ParticleIndex vt) const
 
virtual double evaluate_if_good_index (Model *m, ParticleIndex 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)
 

Additional Inherited Members

- Public Types inherited from IMP::SingletonScore
typedef ParticleArgument
 
typedef ParticleIndex IndexArgument
 
typedef SingletonModifier Modifier
 
typedef ParticlePassArgument
 
typedef ParticleIndex PassIndexArgument
 
- Protected Member Functions inherited from IMP::SingletonScore
virtual Restraints do_create_current_decomposition (Model *m, ParticleIndex 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::npctransport::PoreRadiusSingletonScore::PoreRadiusSingletonScore ( Float  mean,
Float  k 
)

initialize a harmonic score on the pore radius key, as defined by SlabWithPore::get_pore_radius_key()

Definition at line 33 of file PoreRadiusSingletonScore.h.

Member Function Documentation

virtual ModelObjectsTemp IMP::npctransport::PoreRadiusSingletonScore::do_get_inputs ( Model m,
const ParticleIndexes pis 
) const
overridevirtual

Overload this method to specify the inputs.

Reimplemented from IMP::core::GenericAttributeSingletonScore< core::Harmonic >.

void IMP::npctransport::PoreRadiusSingletonScore::set_k ( double  k)

set the coefficient of the score harmonic to k

Definition at line 43 of file PoreRadiusSingletonScore.h.


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