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core::scoring::HydroxylTorsionPotential Class Reference

#include <HydroxylTorsionPotential.hh>

Inheritance diagram for core::scoring::HydroxylTorsionPotential:
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Public Types

typedef boost::unordered_multimap< std::string, TorsionParams >::const_iterator tors_iterator
 

Public Member Functions

 HydroxylTorsionPotential ()
 ctor More...
 
 ~HydroxylTorsionPotential () override=default
 
Real eval_residue_energy (conformation::Residue const &rsd) const
 
void eval_residue_derivative (conformation::Residue const &rsd, utility::vector1< DerivVectorPair > &atom_derivs) const
 

Private Member Functions

std::string get_restag (core::chemical::ResidueType const &restype) const
 
void read_database (std::string filename)
 

Private Attributes

boost::unordered_multimap< std::string, TorsionParamstorsion_params_
 

Member Typedef Documentation

◆ tors_iterator

typedef boost::unordered_multimap< std::string, TorsionParams >::const_iterator core::scoring::HydroxylTorsionPotential::tors_iterator

Constructor & Destructor Documentation

◆ HydroxylTorsionPotential()

core::scoring::HydroxylTorsionPotential::HydroxylTorsionPotential ( )

ctor

References read_database().

◆ ~HydroxylTorsionPotential()

core::scoring::HydroxylTorsionPotential::~HydroxylTorsionPotential ( )
overridedefault

Member Function Documentation

◆ eval_residue_derivative()

void core::scoring::HydroxylTorsionPotential::eval_residue_derivative ( conformation::Residue const &  rsd,
utility::vector1< DerivVectorPair > &  atom_derivs 
) const

◆ eval_residue_energy()

Real core::scoring::HydroxylTorsionPotential::eval_residue_energy ( conformation::Residue const &  rsd) const

◆ get_restag()

std::string core::scoring::HydroxylTorsionPotential::get_restag ( core::chemical::ResidueType const &  restype) const
private

◆ read_database()

void core::scoring::HydroxylTorsionPotential::read_database ( std::string  filename)
private

Member Data Documentation

◆ torsion_params_

boost::unordered_multimap< std::string, TorsionParams > core::scoring::HydroxylTorsionPotential::torsion_params_
private

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