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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
IMP::core::HarmonicWell Class Reference

A well with harmonic barriers. More...

#include <IMP/core/HarmonicWell.h>

+ Inheritance diagram for IMP::core::HarmonicWell:

Detailed Description

A well with harmonic barriers.

The well is defined by a center, a width and a k. The score is 0 if the feature is within the width/2.0. Outside of the width the score is a harmonic.

See Also
TruncatedHarmonic
Harmonic
HarmonicUpperBound
HarmonicLowerBound

Definition at line 25 of file HarmonicWell.h.

Public Member Functions

 HarmonicWell (const FloatRange &well, double k)
 Initialize with the lower and upper bounds and the spring constant. More...
 
virtual double evaluate (double feature) const override
 Calculate score with respect to the given feature. More...
 
virtual DerivativePair evaluate_with_derivative (double feature) const override
 Calculate score and derivative with respect to the given feature. More...
 
virtual std::string get_type_name () const override
 
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::UnaryFunction
 UnaryFunction (std::string name="UnaryFunction%1%")
 
- 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

- 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::HarmonicWell::HarmonicWell ( const FloatRange well,
double  k 
)

Initialize with the lower and upper bounds and the spring constant.

Definition at line 45 of file HarmonicWell.h.

Member Function Documentation

virtual double IMP::core::HarmonicWell::evaluate ( double  feature) const
overridevirtual

Calculate score with respect to the given feature.

Parameters
[in]featureValue of feature being tested.
Returns
Score

Reimplemented from IMP::UnaryFunction.

Definition at line 57 of file HarmonicWell.h.

virtual DerivativePair IMP::core::HarmonicWell::evaluate_with_derivative ( double  feature) const
overridevirtual

Calculate score and derivative with respect to the given feature.

Parameters
[in]featureValue of feature being tested.
Returns
a DerivativePair containing the score and its partial derivative with respect to the given feature.

Reimplemented from IMP::UnaryFunction.

Definition at line 52 of file HarmonicWell.h.

virtual ::IMP::VersionInfo IMP::core::HarmonicWell::get_version_info ( ) const
overridevirtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 61 of file HarmonicWell.h.


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