Rosetta Core  2014.35
Public Member Functions | Private Attributes | List of all members
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)
 
chi_mean (Size which_chi) const
 
chi_sd (Size which_chi) const
 
rotamer_probability () const
 
rotE () const
 
rotE_dsecophi () const
 
rotE_dsecopsi () const
 
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_
 
rotamer_probability_
 
rotE_
 
rotE_dsecophi_
 
rotE_dsecopsi_
 
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
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,
chi_mean_in 
)
inline
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_sd ( Size  which_chi) const
inline
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,
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::RotamericSingleResiduePeptoidLibrary< T >::assign_random_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::assign_random_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::best_rotamer_energy(), core::pack::dunbrack::RotamericSingleResiduePeptoidLibrary< T >::fill_rotamer_vector(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::fill_rotamer_vector(), core::pack::dunbrack::RotamericSingleResiduePeptoidLibrary< T >::get_all_rotamer_samples(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_all_rotamer_samples_bbdep(), core::pack::dunbrack::RotamericSingleResiduePeptoidLibrary< T >::get_probability_for_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::get_probability_for_rotamer(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_probability_for_rotamer_bbind(), core::pack::dunbrack::RotamericSingleResiduePeptoidLibrary< T >::get_rotamer(), 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::RotamericSingleResiduePeptoidLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResiduePeptoidLibrary< T >::packed_rotamer_2_regular_rotamer(), 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 ( rotprob_in)
inline
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE ( ) const
inline
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
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
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
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
template<Size S, class P = DunbrackReal>
utility::fixedsizearray1< P, S > core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::chi_sd_
private
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotamer_probability_
private
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_
private
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophi_
private
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecophipsi_
private
template<Size S, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, P >::rotE_dsecopsi_
private

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