Rosetta: core::pack::dunbrack::DunbrackRotamer< S, N, P > Class Template Reference

Rosetta

forward declaration; default precision is DunbrackReal More...

#include <DunbrackRotamer.hh>

Inheritance diagram for core::pack::dunbrack::DunbrackRotamer< S, N, P >:

Inheritance graph

[legend]

Public Types
typedef DunbrackRotamerMeanSD< S, N, P >	parent

Public Member Functions
	DunbrackRotamer ()

	DunbrackRotamer (typename utility::vector1< P > const &chimean_in, typename utility::vector1< P > const &chisd_in, P const prob_in, typename utility::vector1< Size > const &rotwell_in)

Size	rotwell (Size which_chi) const

Size &	rotwell (Size which_chi)

void	rotwell (Size which_chi, Size rotwell_in)

Public Member Functions inherited from core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >
	DunbrackRotamerMeanSD (typename utility::vector1< P > const &chimean_in, typename utility::vector1< P > const &chisd_in, P const prob_in)

	DunbrackRotamerMeanSD ()

P	chi_mean (Size which_chi) const

P	chi_sd (Size which_chi) const

P	rotamer_probability () const

utility::fixedsizearray1< core::Real,(1<< N) >	n_derivs () const

P &	chi_mean (Size which_chi)

P &	chi_sd (Size which_chi)

P &	rotamer_probability ()

utility::fixedsizearray1< core::Real,(1<< N) > &	n_derivs ()

void	chi_mean (Size which_chi, P chi_mean_in)

void	chi_sd (Size which_chi, P chi_sd_in)

void	rotamer_probability (P rotprob_in)

Private Attributes
utility::fixedsizearray1< Size, S >	rotwell_

Detailed Description

template<Size S, Size N, class P>
class core::pack::dunbrack::DunbrackRotamer< S, N, P >

forward declaration; default precision is DunbrackReal

Member Typedef Documentation

◆ parent

template<Size S, Size N, class P >

typedef DunbrackRotamerMeanSD< S, N, P > core::pack::dunbrack::DunbrackRotamer< S, N, P >::parent

Constructor & Destructor Documentation

◆ DunbrackRotamer() [1/2]

template<Size S, Size N, class P >

core::pack::dunbrack::DunbrackRotamer< S, N, P >::DunbrackRotamer ( )

inline

References core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell_, and core::chemical::element::S.

◆ DunbrackRotamer() [2/2]

template<Size S, Size N, class P >

core::pack::dunbrack::DunbrackRotamer< S, N, P >::DunbrackRotamer	(	typename utility::vector1< P > const &	chimean_in,
		typename utility::vector1< P > const &	chisd_in,
		P const	prob_in,
		typename utility::vector1< Size > const &	rotwell_in
	)

inline

References core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell_, and core::chemical::element::S.

Member Function Documentation

◆ rotwell() [1/3]

template<Size S, Size N, class P >

Size& core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell ( Size which_chi )

inline

References core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell_.

◆ rotwell() [2/3]

template<Size S, Size N, class P >

Size core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell ( Size which_chi ) const

inline

References core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::chisamples_for_rotamer_and_chi(), core::pack::dunbrack::increase_rotamer_precision(), core::pack::dunbrack::interpolate_rotamers(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::packed_rotamer_2_regular_rotamer().

◆ rotwell() [3/3]

template<Size S, Size N, class P >

void core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell	(	Size	which_chi,
		Size	rotwell_in
	)

inline

References core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell_.

Member Data Documentation

◆ rotwell_

template<Size S, Size N, class P >

utility::fixedsizearray1< Size, S > core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell_

private

Referenced by core::pack::dunbrack::DunbrackRotamer< S, N, P >::DunbrackRotamer(), and core::pack::dunbrack::DunbrackRotamer< S, N, P >::rotwell().

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

src/core/pack/dunbrack/DunbrackRotamer.fwd.hh
src/core/pack/dunbrack/DunbrackRotamer.hh