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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:
Inheritance graph

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 ( )

Member Function Documentation

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

Member Data Documentation

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

Referenced by compute().

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

Referenced by compute().

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