core::scoring::ProQPotential Class Reference

#include <ProQPotential.hh>

Public Member Functions
	ProQPotential ()
	~ProQPotential ()=default
void	setup_for_scoring (pose::Pose &pose) const
void	score (pose::Pose &pose, ObjexxFCL::FArray2D< Real > &feature_vector, ObjexxFCL::FArray1D< Real > &score, bool ProQ2=false) const
Size	num_features_proqm () const
Size	num_features_proq2 () const

Private Attributes
ObjexxFCL::FArray2D< Real >	linear_weights_
ObjexxFCL::FArray1D< Real >	b_
ObjexxFCL::FArray2D< Real >	linear_weights_proq2_
ObjexxFCL::FArray1D< Real >	b_proq2_
Size	svm_model_
bool	cross_val_

Static Private Attributes
static Size const	num_features_proqm_ =260
static Size const	num_features_proq2_ =174
static Size const	num_models_ =5

Constructor & Destructor Documentation

core::scoring::ProQPotential::ProQPotential

(

)

References b_, b_proq2_, cross_val_, linear_weights_, linear_weights_proq2_, num_features_proq2_, num_features_proqm_, num_models_, and svm_model_.

core::scoring::ProQPotential::~ProQPotential ( )

inlinedefault

Member Function Documentation

Size core::scoring::ProQPotential::num_features_proq2

(

)

const

References num_features_proq2_.

Referenced by core::energy_methods::ProQ_Energy::finalize_total_energy().

Size core::scoring::ProQPotential::num_features_proqm

(

)

const

References num_features_proqm_.

Referenced by core::energy_methods::ProQ_Energy::finalize_total_energy().

void core::scoring::ProQPotential::score	(	pose::Pose &	pose,
		ObjexxFCL::FArray2D< Real > &	feature_vector,
		ObjexxFCL::FArray1D< Real > &	score,
		bool	ProQ2 = false
	)		const

References core::chemical::ResidueTypeBase::aa(), core::chemical::aa_vrt, b_, b_proq2_, cross_val_, linear_weights_, linear_weights_proq2_, num_features_proq2_, num_features_proqm_, num_models_, core::pose::Pose::residue(), core::pose::Pose::size(), svm_model_, and core::conformation::Residue::type().

Referenced by core::energy_methods::ProQ_Energy::finalize_total_energy().

void core::scoring::ProQPotential::setup_for_scoring

(

pose::Pose &

pose

)

const

Referenced by core::energy_methods::ProQ_Energy::setup_for_scoring().

Member Data Documentation

ObjexxFCL::FArray1D< Real > core::scoring::ProQPotential::b_

private

Referenced by ProQPotential(), and score().

ObjexxFCL::FArray1D< Real > core::scoring::ProQPotential::b_proq2_

private

Referenced by ProQPotential(), and score().

bool core::scoring::ProQPotential::cross_val_

private

Referenced by ProQPotential(), and score().

ObjexxFCL::FArray2D< Real > core::scoring::ProQPotential::linear_weights_

private

Referenced by ProQPotential(), and score().

ObjexxFCL::FArray2D< Real > core::scoring::ProQPotential::linear_weights_proq2_

private

Referenced by ProQPotential(), and score().

Size const core::scoring::ProQPotential::num_features_proq2_ =174

staticprivate

Referenced by num_features_proq2(), ProQPotential(), and score().

Size const core::scoring::ProQPotential::num_features_proqm_ =260

staticprivate

Referenced by num_features_proqm(), ProQPotential(), and score().

Size const core::scoring::ProQPotential::num_models_ =5

staticprivate

Referenced by ProQPotential(), and score().

Size core::scoring::ProQPotential::svm_model_

private

Referenced by ProQPotential(), and score().

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

• src/core/scoring/ProQPotential.hh
• src/core/scoring/ProQPotential.cc