forward declaration; default precision is DunbrackReal More...
#include <DunbrackRotamer.hh>
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>
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
◆ DunbrackRotamerMeanSD() [1/2]
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inline |
◆ DunbrackRotamerMeanSD() [2/2]
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inline |
Member Function Documentation
◆ chi_mean() [1/3]
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inline |
◆ chi_mean() [2/3]
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inline |
References core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_mean_.
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::RotamericSingleResidueDunbrackLibrary< T, N >::get_rotamer_from_chi_static_voronoi(), core::pack::dunbrack::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::make_conditional_packed_rotno_index(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::operator==(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::packed_rotamer_2_regular_rotamer().
◆ chi_mean() [3/3]
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inline |
◆ chi_sd() [1/3]
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inline |
◆ chi_sd() [2/3]
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inline |
References core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::chi_sd_.
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::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::operator==(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::packed_rotamer_2_regular_rotamer().
◆ chi_sd() [3/3]
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inline |
◆ n_derivs() [1/2]
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inline |
◆ n_derivs() [2/2]
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inline |
◆ rotamer_probability() [1/3]
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inline |
◆ rotamer_probability() [2/3]
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inline |
References core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >::rotamer_probability_.
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::increase_rotamer_precision(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::interpolate_rotamers(), core::pack::dunbrack::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::operator==(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::packed_rotamer_2_regular_rotamer(), and core::pack::dunbrack::RotamericData< T, N >::RotamericData().
◆ rotamer_probability() [3/3]
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inline |
Member Data Documentation
◆ chi_mean_
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private |
◆ chi_sd_
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private |
◆ n_derivs_
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private |
◆ rotamer_probability_
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private |
The documentation for this class was generated from the following files:
- src/core/pack/dunbrack/DunbrackRotamer.fwd.hh
- src/core/pack/dunbrack/DunbrackRotamer.hh
