core::pack::dunbrack::DunbrackRotamerMeanSD< S, P > Class Template Reference

forward declaration; default precision is DunbrackReal More...

#include <DunbrackRotamer.hh>

Public Member Functions
	DunbrackRotamerMeanSD ()
	DunbrackRotamerMeanSD (typename utility::vector1< P > const &chimean_in, typename utility::vector1< P > const &chisd_in, P const prob_in)
P	chi_mean (Size which_chi) const
P	chi_sd (Size which_chi) const
P	rotamer_probability () const
P	rotE () const
P	rotE_dsecophi () const
P	rotE_dsecopsi () const
P	rotE_dsecophipsi () const
P &	chi_mean (Size which_chi)
P &	chi_sd (Size which_chi)
P &	rotamer_probability ()
P &	rotE ()
P &	rotE_dsecophi ()
P &	rotE_dsecopsi ()
P &	rotE_dsecophipsi ()
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< P, S >	chi_mean_
utility::fixedsizearray1< P, S >	chi_sd_
P	rotamer_probability_
P	rotE_
P	rotE_dsecophi_
P	rotE_dsecopsi_
P	rotE_dsecophipsi_

Detailed Description

template<Size S, class P = DunbrackReal>
class core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >

forward declaration; default precision is DunbrackReal

A class who's size is known at compile time. A vector of these objects will occupy a perfectly contiguous region of memory, with no extra space allocated for pointers. These objects may be rapidly allocated and deallocated on the stack.

S for Size, P for Precision. Now incorporating the bicubic spline code from numerical recipies that was ported to Rosetta from the Meiler lab code base (biotools?) by Steven Combs.

Constructor & Destructor Documentation

template<Size S, class P = DunbrackReal>

core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::DunbrackRotamerMeanSD ( )

inline

template<Size S, class P = DunbrackReal>

core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::DunbrackRotamerMeanSD ( typename utility::vector1< P > const &  chimean_in, typename utility::vector1< P > const &  chisd_in, P const  prob_in  )

inline

Member Function Documentation

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_mean ( Size  which_chi ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::assign_chi_for_interpolated_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples_bbdep(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples_bbind(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_rotamer(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbdep(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbind(), core::pack::dunbrack::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::packed_rotamer_2_regular_rotamer().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_mean ( Size  which_chi )

inline

template<Size S, class P = DunbrackReal>

void core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_mean ( Size  which_chi, P  chi_mean_in  )

inline

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_sd ( Size  which_chi ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::assign_chi_for_interpolated_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples_bbdep(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples_bbind(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_rotamer(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbdep(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbind(), core::pack::dunbrack::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::packed_rotamer_2_regular_rotamer().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_sd ( Size  which_chi )

inline

template<Size S, class P = DunbrackReal>

void core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_sd ( Size  which_chi, P  chi_sd_in  )

inline

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotamer_probability ( ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::assign_random_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::best_rotamer_energy(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::fill_rotamer_vector(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples_bbdep(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_probability_for_rotamer(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_probability_for_rotamer_bbind(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_rotamer(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbdep(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbind(), core::pack::dunbrack::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::initialize_bicubic_splines(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::packed_rotamer_2_regular_rotamer().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotamer_probability ( )

inline

template<Size S, class P = DunbrackReal>

void core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotamer_probability ( P  rotprob_in )

inline

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE ( ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::initialize_bicubic_splines(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE ( )

inline

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophi ( ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::initialize_bicubic_splines(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophi ( )

inline

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophipsi ( ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::initialize_bicubic_splines(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophipsi ( )

inline

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecopsi ( ) const

inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::initialize_bicubic_splines(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

template<Size S, class P = DunbrackReal>

P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecopsi ( )

inline

Member Data Documentation

template<Size S, class P = DunbrackReal>

utility::fixedsizearray1< P, S > core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_mean_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::chi_mean(), and core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::DunbrackRotamerMeanSD().

template<Size S, class P = DunbrackReal>

utility::fixedsizearray1< P, S > core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_sd_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::chi_sd(), and core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::DunbrackRotamerMeanSD().

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotamer_probability_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::rotamer_probability().

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::rotE().

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophi_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::rotE_dsecophi().

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophipsi_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::rotE_dsecophipsi().

template<Size S, class P = DunbrackReal>

P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecopsi_

private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, double >::rotE_dsecopsi().

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

• symlinks/rosetta/src/core/pack/dunbrack/DunbrackRotamer.fwd.hh
• symlinks/rosetta/src/core/pack/dunbrack/DunbrackRotamer.hh