DunbrackRotamer.hh File Reference

#include <core/pack/dunbrack/DunbrackRotamer.fwd.hh>
#include <core/pack/dunbrack/RotamerLibraryScratchSpace.fwd.hh>
#include <core/types.hh>
#include <numeric/random/random.fwd.hh>
#include <numeric/angle.functions.hh>
#include <utility/fixedsizearray1.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector1.hh>

Classes
class	core::pack::dunbrack::DunbrackRotamerMeanSD< S, N, P >
	forward declaration; default precision is DunbrackReal More...
class	core::pack::dunbrack::DunbrackRotamer< S, N, P >
	forward declaration; default precision is DunbrackReal More...
class	core::pack::dunbrack::PackedDunbrackRotamer< S, N, P >
	forward declaration; default precision is DunbrackReal; More...
class	core::pack::dunbrack::DunbrackRotamerSampleData
class	core::pack::dunbrack::RotamerBuildingData
	a simple class for passing data around in virtual function calls of the rotamer creating process. Derived classes will be simple containers for interpolated rotameric data that 1) has to be available to the derived class when building rotamers and 2) cannot be stored as member data in the derived class in a thread-safe manner. Derived classes of the RotamerBuildingData can be declared on the stack, passed into the RotamericSingleResidueDunbrackLibrary::build_chi_sets function, and then in the (virtual) chisamples_for_rotamer function, the derived classes may be downcast. More...
class	core::pack::dunbrack::RotamericData< T, N >
	DOUG DOUG DOUG. More...

Namespaces
	core
	A class for reading in the atom type properties.
	core::pack
	core::pack::dunbrack

Functions
Size	core::pack::dunbrack::positive_pow (Size mantissa, Size exponent)
template<Size N>
Size	core::pack::dunbrack::product (utility::fixedsizearray1< Size, N > factors)
bool	core::pack::dunbrack::bit_is_set (Size num, Size num_len, Size pos)
template<Size N>
Size	core::pack::dunbrack::make_index (utility::fixedsizearray1< Size, N > const &num_bins, utility::fixedsizearray1< Size, N > const &bb_bin)
template<Size N>
Size	core::pack::dunbrack::make_index (utility::fixedsizearray1< Size, N > const &num_bins, utility::fixedsizearray1< Size, N+1 > const &bb_bin)
template<Size N>
Size	core::pack::dunbrack::make_index (utility::fixedsizearray1< Size, N > const &num_bins, utility::vector1< Size > const &bb_bin)
	Variant of above make_index function for bb_bin as a vector. More...
template<Size N>
Size	core::pack::dunbrack::make_conditional_index (utility::fixedsizearray1< Size, N > num_bins, Size cond_i, utility::fixedsizearray1< Size, N > bin_true, utility::fixedsizearray1< Size, N > bin_false)
template<Size N>
Size	core::pack::dunbrack::make_conditional_index (utility::fixedsizearray1< Size, N > num_bins, Size cond_i, utility::fixedsizearray1< Size, N+1 > bin_true, utility::fixedsizearray1< Size, N+1 > bin_false)
	AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA. More...
template<Size N>
void	core::pack::dunbrack::polycubic_interpolation (utility::fixedsizearray1< utility::fixedsizearray1< Real,(1<< N) >,(1<< N) > n_derivs, utility::fixedsizearray1< Real, N > dbbp, utility::fixedsizearray1< Real, N > binwbb, Real &val, utility::fixedsizearray1< Real, N > &dvaldbb)
	Perform cubic interpolation over each of N axes, using the 2^N derivatives at 2^N gridpoints. More...
template<Size N>
void	core::pack::dunbrack::interpolate_polylinear_by_value_noangles (utility::fixedsizearray1< core::Real,(1<< N) > const &vals, utility::fixedsizearray1< core::Real, N > const &bbd, utility::fixedsizearray1< core::Real, N > const &binrange, core::Real &val, utility::fixedsizearray1< core::Real, N > &dval_dbb)
	Interpolate polylinearly in N dimensions for values that AREN'T angles. More...
template<core::Size N>
void	core::pack::dunbrack::interpolate_polylinear_by_value_angles_degrees (utility::fixedsizearray1< core::Real,(1<< N) > const &vals, utility::fixedsizearray1< core::Real, N > const &bbd, utility::fixedsizearray1< core::Real, N > const &binrange, core::Real &val, utility::fixedsizearray1< core::Real, N > &dval_dbb)
	Interpolate polylinearly in N dimensions, for outputs that are angles (and have to handle wraparound properly). More...
template<>
void	core::pack::dunbrack::interpolate_polylinear_by_value_angles_degrees< 1 > (utility::fixedsizearray1< core::Real, 2 > const &vals, utility::fixedsizearray1< core::Real, 1 > const &bbd, utility::fixedsizearray1< core::Real, 1 > const &binrange, core::Real &val, utility::fixedsizearray1< core::Real, 1 > &dval_dbb)
	Interpolate polylinearly in N dimensions, for outputs that are angles (and have to handle wraparound properly). More...
template<Size N>
void	core::pack::dunbrack::interpolate_polylinear_by_value (utility::fixedsizearray1< core::Real,(1<< N) > const &vals, utility::fixedsizearray1< core::Real, N > const &bbd, utility::fixedsizearray1< core::Real, N > const &binrange, bool angles, core::Real &val, utility::fixedsizearray1< core::Real, N > &dval_dbb)
	Interpolate polylinearly in N dimensions. More...
template<Size S, Size N>
DunbrackRotamer< S, N, Real >	core::pack::dunbrack::increase_rotamer_precision (DunbrackRotamer< S, N, DunbrackReal > const &original_rotamer)