util.cc File Reference

#include <core/scoring/electron_density/util.hh>
#include <core/scoring/electron_density/SplineInterp.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/ScoreFunction.hh>
#include <basic/options/option.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <iostream>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <basic/options/keys/patterson.OptionKeys.gen.hh>
#include <utility/vector1.hh>

Namespaces
	core
	A class for defining atom parameters, known as atom_types.
	core::scoring
	core::scoring::electron_density

Functions
void	core::scoring::electron_density::add_dens_scores_from_cmdline_to_scorefxn (core::scoring::ScoreFunction &scorefxn)
	read density weights from the cmd line into the scorefunction More...
bool	core::scoring::electron_density::pose_has_nonzero_Bs (core::pose::Pose const &pose)
	helper function quickly guesses if a pose has non-zero B factors More...
bool	core::scoring::electron_density::pose_has_nonzero_Bs (poseCoords const &pose)
core::Real	core::scoring::electron_density::interp_spline (ObjexxFCL::FArray3D< double > &coeffs, numeric::xyzVector< core::Real > const &idxX)
	spline interpolation with periodic boundaries More...
numeric::xyzVector< core::Real >	core::scoring::electron_density::interp_dspline (ObjexxFCL::FArray3D< double > &coeffs, numeric::xyzVector< core::Real > const &idxX)
	spline interpolation with periodic boundaries More...
void	core::scoring::electron_density::spline_coeffs (ObjexxFCL::FArray3D< double > &data, ObjexxFCL::FArray3D< double > &coeffs)
	precompute spline coefficients (float array => double coeffs) More...
void	core::scoring::electron_density::spline_coeffs (ObjexxFCL::FArray3D< float > &data, ObjexxFCL::FArray3D< double > &coeffs)
	precompute spline coefficients (double array => double coeffs) More...
void	core::scoring::electron_density::conj_map_times (ObjexxFCL::FArray3D< std::complex< double > > &map_product, ObjexxFCL::FArray3D< std::complex< double > > const &mapA, ObjexxFCL::FArray3D< std::complex< double > > const &mapB)
ObjexxFCL::FArray3D< double >	core::scoring::electron_density::convolute_maps (ObjexxFCL::FArray3D< double > const &mapA, ObjexxFCL::FArray3D< double > const &mapB)
core::Real	core::scoring::electron_density::interp_spline (ObjexxFCL::FArray4D< double > &coeffs, core::Real slab, numeric::xyzVector< core::Real > const &idxX)
	4D interpolants More...
void	core::scoring::electron_density::interp_dspline (ObjexxFCL::FArray4D< double > &coeffs, numeric::xyzVector< core::Real > const &idxX, core::Real slab, numeric::xyzVector< core::Real > &gradX, core::Real &gradSlab)
	spline interpolation with periodic boundaries More...
void	core::scoring::electron_density::spline_coeffs (ObjexxFCL::FArray4D< double > &data, ObjexxFCL::FArray4D< double > &coeffs)
void	core::scoring::electron_density::spline_coeffs (ObjexxFCL::FArray4D< float > &data, ObjexxFCL::FArray4D< double > &coeffs)

Detailed Description

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