protocols::toolbox::MulliganPNearEvaluator Class Reference

Evaluates a set of score/rms points using Vikram's pnear method. More...

#include <EnergyLandscapeEvaluator.hh>

Inheritance diagram for protocols::toolbox::MulliganPNearEvaluator:

Public Member Functions
	MulliganPNearEvaluator (core::Real const temperature, core::Real const lambda)
	~MulliganPNearEvaluator () override
EnergyLandscapeEvaluatorOP	clone () const override
core::Real	compute (ScoreRmsPoints const &points) const override
Public Member Functions inherited from protocols::toolbox::EnergyLandscapeEvaluator
	EnergyLandscapeEvaluator ()
	~EnergyLandscapeEvaluator () override

Private Attributes
core::Real	temperature_
core::Real	lambda_sq_

Detailed Description

Evaluates a set of score/rms points using Vikram's pnear method.

PNear = SUM( e^(rms^2/lambda^2)*e^(-(score-bg_score)/temperature) ) / SUM( e^( -(score-bg_score)/temperature ) )

Constructor & Destructor Documentation

protocols::toolbox::MulliganPNearEvaluator::MulliganPNearEvaluator	(	core::Real const	temperature,
		core::Real const	lambda
	)

protocols::toolbox::MulliganPNearEvaluator::~MulliganPNearEvaluator ( )

overridedefault

Member Function Documentation

EnergyLandscapeEvaluatorOP protocols::toolbox::MulliganPNearEvaluator::clone ( ) const

overridevirtual

Implements protocols::toolbox::EnergyLandscapeEvaluator.

core::Real protocols::toolbox::MulliganPNearEvaluator::compute ( ScoreRmsPoints const &  points ) const

overridevirtual

Implements protocols::toolbox::EnergyLandscapeEvaluator.

References protocols::toolbox::ScoreRmsPoints::bg(), protocols::buns::energy, lambda_sq_, protocols::toolbox::ScoreRmsPoint::score(), temperature_, and protocols::TR().

Member Data Documentation

core::Real protocols::toolbox::MulliganPNearEvaluator::lambda_sq_

private

Referenced by compute().

core::Real protocols::toolbox::MulliganPNearEvaluator::temperature_

private

Referenced by compute().

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

• src/protocols/toolbox/EnergyLandscapeEvaluator.hh
• src/protocols/toolbox/EnergyLandscapeEvaluator.cc