Rosetta  2021.16
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Namespaces | Functions
FiberDiffractionEnergyDens.cc File Reference
#include <core/energy_methods/FiberDiffractionEnergyDens.hh>
#include <core/scoring/fiber_diffraction/FiberDiffraction.hh>
#include <core/scoring/fiber_diffraction/util.hh>
#include <core/scoring/fiber_diffraction/util_ndft.hh>
#include <core/scoring/fiber_diffraction/hankel_kiss_fft.hh>
#include <core/scoring/fiber_diffraction/xray_scattering.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/methods/EnergyMethod.hh>
#include <core/scoring/electron_density/ElectronDensity.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <core/id/NamedAtomID.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <core/pose/symmetry/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <basic/prof.hh>
#include <basic/database/open.hh>
#include <basic/Tracer.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <utility/sys_util.hh>
#include <iomanip>
#include <string>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::energy_methods
 

Functions

static basic::Tracer core::energy_methods::TR ("core.energy_methods.FiberDiffractionEnergyDens")
 
void core::energy_methods::gnl_R_qfht (ObjexxFCL::FArray3D< float > &fourier_in, utility::vector0< utility::vector0< int > >::iterator &nvals, core::Size &lmax, core::Real &max_r_value, double &qfht_K1, double &qfht_K2, ObjexxFCL::FArray3D< std::complex< float > > &Gnl)
 
utility::pointer::shared_ptr
< numeric::interpolation::spline::Interpolator > 
core::energy_methods::fit_layer_lines_with_splines (ObjexxFCL::FArray1D< float > xvals, ObjexxFCL::FArray1D< float > yvals)