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
	Calculate score with respect to the given feature. More...
virtual DerivativePair	evaluate_with_derivative (double feature) const
	Calculate score and derivative with respect to the given feature. 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::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

virtual

Calculate score with respect to the given feature.

Parameters

[in]

feature

Value of feature being tested.

Returns

Score

Reimplemented from IMP::UnaryFunction.

Definition at line 56 of file HarmonicWell.h.

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

virtual

Calculate score and derivative with respect to the given feature.

Parameters

[in]

feature

Value 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

virtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 58 of file HarmonicWell.h.

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

• HarmonicWell.h