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core::scoring::carbohydrates::OmegaPreferencesFunction Class Reference

#include <OmegaPreferencesFunction.hh>

Inheritance diagram for core::scoring::carbohydrates::OmegaPreferencesFunction:
Inheritance graph
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Public Member Functions

 OmegaPreferencesFunction ()
 Default constructor. More...
 
 ~OmegaPreferencesFunction () override
 
Energy operator() (OmegaPreferenceType preference, Angle x) const
 
Real evaluate_derivative (OmegaPreferenceType preference, Angle x) const
 
OmegaPreferenceSamplingData const & get_sampling_data (OmegaPreferenceType const type) const
 
bool sampling_data_setup () const
 
bool sampling_data_setup (OmegaPreferenceType const linkage_type) const
 

Private Member Functions

void set_parameters (OmegaPreferenceType preference, Angle x) const
 
Energy evaluate_function (OmegaPreferenceType preference, Angle x) const
 
void setup_for_sampling ()
 Set up CHI sampling data if not already setup. More...
 
void init ()
 

Private Attributes

core::Real const k_ = 0.0025
 
core::Angle theta_
 
core::Real b_
 
std::map< OmegaPreferenceType,
OmegaPreferenceSamplingData
dihedral_sampling_data_
 

Detailed Description

TBD

Constructor & Destructor Documentation

core::scoring::carbohydrates::OmegaPreferencesFunction::OmegaPreferencesFunction ( )

Default constructor.

This class is only intended to be instantiated by the ScoringManager.

References init().

core::scoring::carbohydrates::OmegaPreferencesFunction::~OmegaPreferencesFunction ( )
overridedefault

Member Function Documentation

Real core::scoring::carbohydrates::OmegaPreferencesFunction::evaluate_derivative ( OmegaPreferenceType  preference,
core::Angle  x 
) const

TBD

Parameters
<preference>AXIAL or GAUCHE_EFFECT
<x>an angle, in degrees, between 0 and 360

References k_, core::scoring::carbohydrates::PREFERENCE_NA, set_parameters(), and theta_.

Referenced by core::energy_methods::SugarBackboneEnergy::eval_residue_dof_derivative().

Energy core::scoring::carbohydrates::OmegaPreferencesFunction::evaluate_function ( OmegaPreferenceType  preference,
Angle  x 
) const
private
OmegaPreferenceSamplingData const & core::scoring::carbohydrates::OmegaPreferencesFunction::get_sampling_data ( OmegaPreferenceType const  linkage_type) const
void core::scoring::carbohydrates::OmegaPreferencesFunction::init ( void  )
private
Energy core::scoring::carbohydrates::OmegaPreferencesFunction::operator() ( OmegaPreferenceType  preference,
core::Angle  x 
) const

TBA

Parameters
<preference>AXIAL or GAUCHE_EFFECT
<x>an angle, in degrees, between 0 and 360

References evaluate_function().

bool core::scoring::carbohydrates::OmegaPreferencesFunction::sampling_data_setup ( ) const
Author
Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)

References dihedral_sampling_data_.

Referenced by setup_for_sampling().

bool core::scoring::carbohydrates::OmegaPreferencesFunction::sampling_data_setup ( OmegaPreferenceType const  linkage_type) const
Author
Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)

References dihedral_sampling_data_.

void core::scoring::carbohydrates::OmegaPreferencesFunction::set_parameters ( OmegaPreferenceType  preference,
Angle  x 
) const
private
void core::scoring::carbohydrates::OmegaPreferencesFunction::setup_for_sampling ( )
private

Member Data Documentation

core::Real core::scoring::carbohydrates::OmegaPreferencesFunction::b_
mutableprivate
std::map< OmegaPreferenceType, OmegaPreferenceSamplingData > core::scoring::carbohydrates::OmegaPreferencesFunction::dihedral_sampling_data_
private
core::Real const core::scoring::carbohydrates::OmegaPreferencesFunction::k_ = 0.0025
private
core::Angle core::scoring::carbohydrates::OmegaPreferencesFunction::theta_
mutableprivate

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