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

forward declaration; default precision is DunbrackReal More...

#include <DunbrackRotamer.hh>

Inheritance diagram for core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >:
Inheritance graph
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Public Member Functions

 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< P, S > chi_mean_
 
utility::fixedsizearray1< P, S > chi_sd_
 
P rotamer_probability_
 
utility::fixedsizearray1
< core::Real,(1<< N) > 		n_derivs_
 

Detailed Description

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

forward declaration; default precision is DunbrackReal

A class whose 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. Also Size N for number of backbones.

Constructor & Destructor Documentation

template<Size S, Size N, class P = DunbrackReal>
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 
)
inline
template<Size S, Size N, class P = DunbrackReal>
core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::DunbrackRotamerMeanSD ( )
inline

Member Function Documentation

template<Size S, Size N, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_mean ( Size  which_chi) const
inline

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

template<Size S, Size N, class P = DunbrackReal>
P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_mean ( Size  which_chi)
inline
template<Size S, Size N, class P = DunbrackReal>
void core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_mean ( Size  which_chi,
P  chi_mean_in 
)
inline
template<Size S, Size N, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_sd ( Size  which_chi) const
inline

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

template<Size S, Size N, class P = DunbrackReal>
P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_sd ( Size  which_chi)
inline
template<Size S, Size N, class P = DunbrackReal>
void core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_sd ( Size  which_chi,
P  chi_sd_in 
)
inline
template<Size S, Size N, class P = DunbrackReal>
utility::fixedsizearray1< core::Real, (1<<N) > core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::n_derivs ( ) const
inline

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

template<Size S, Size N, class P = DunbrackReal>
utility::fixedsizearray1< core::Real, (1<<N) >& core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::n_derivs ( )
inline
template<Size S, Size N, class P = DunbrackReal>
P core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::rotamer_probability ( ) const
inline

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::assign_random_rotamer(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::best_rotamer_energy(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::build_bbdep_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::build_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::enumerate_chi_sets(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::fill_rotamer_vector(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::get_all_rotamer_samples(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::get_all_rotamer_samples_bbdep(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::get_rotamer(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::get_rotamer_bbdep(), core::pack::dunbrack::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::initialize_bicubic_splines(), core::pack::dunbrack::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::packed_rotamer_2_regular_rotamer(), and core::pack::dunbrack::RotamericData< T, N >::RotamericData().

template<Size S, Size N, class P = DunbrackReal>
P& core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::rotamer_probability ( )
inline
template<Size S, Size N, class P = DunbrackReal>
void core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::rotamer_probability ( P  rotprob_in)
inline

Member Data Documentation

template<Size S, Size N, class P = DunbrackReal>
utility::fixedsizearray1< P, S > core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_mean_
private

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

template<Size S, Size N, class P = DunbrackReal>
utility::fixedsizearray1< P, S > core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_sd_
private

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

template<Size S, Size N, class P = DunbrackReal>
utility::fixedsizearray1< core::Real, (1<<N) > core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::n_derivs_
private

Referenced by core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, Real >::DunbrackRotamerMeanSD(), and core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, Real >::n_derivs().

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

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

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