Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Namespaces | Functions
DunbrackRotamer.hh File Reference
#include <core/pack/dunbrack/DunbrackRotamer.fwd.hh>
#include <core/pack/dunbrack/RotamerLibraryScratchSpace.fwd.hh>
#include <core/types.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <numeric/random/random.fwd.hh>
#include <numeric/angle.functions.hh>
#include <basic/interpolate.hh>
#include <basic/basic.hh>
#include <utility/fixedsizearray1.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector1_bool.hh>
#include <cmath>
#include <cstdlib>
#include <iosfwd>

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)