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core::chemical::carbohydrates::LinkageConformerData Struct Reference

Holds conformer data for glycan torsional sampling used by the LinkageConformerMover. More...

#include <LinkageConformers.hh>

Public Member Functions

core::Real get_torsion_mean (core::id::MainchainTorsionType torsion) const
 
core::Real get_torsion_mean (core::id::MainchainTorsionType torsion, core::Size torsion_num) const
 
core::Real get_torsion_sd (core::id::MainchainTorsionType torsion) const
 
core::Real get_torsion_sd (core::id::MainchainTorsionType torsion, core::Size torsion_num) const
 
bool has_omega () const
 
core::Size n_omega () const
 
core::Size n_torsions () const
 

Public Attributes

Real population
 
utility::vector1< std::pair
< core::Real, core::Real > > 
mean_sd
 
utility::vector1< std::pair
< core::Real, core::Real > > 
omega_mean_sd
 
std::string conformer_bins
 

Detailed Description

Holds conformer data for glycan torsional sampling used by the LinkageConformerMover.

Member Function Documentation

core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_mean ( core::id::MainchainTorsionType  torsion) const
inline
core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_mean ( core::id::MainchainTorsionType  torsion,
core::Size  torsion_num 
) const
inline
core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_sd ( core::id::MainchainTorsionType  torsion) const
inline
core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_sd ( core::id::MainchainTorsionType  torsion,
core::Size  torsion_num 
) const
inline
bool core::chemical::carbohydrates::LinkageConformerData::has_omega ( ) const
inline

References omega_mean_sd.

core::Size core::chemical::carbohydrates::LinkageConformerData::n_omega ( ) const
inline

References omega_mean_sd.

Referenced by n_torsions().

core::Size core::chemical::carbohydrates::LinkageConformerData::n_torsions ( ) const
inline

Member Data Documentation

std::string core::chemical::carbohydrates::LinkageConformerData::conformer_bins
utility::vector1< std::pair< core::Real, core::Real > > core::chemical::carbohydrates::LinkageConformerData::mean_sd
utility::vector1< std::pair< core::Real, core::Real > > core::chemical::carbohydrates::LinkageConformerData::omega_mean_sd
Real core::chemical::carbohydrates::LinkageConformerData::population

The documentation for this struct was generated from the following file: