FiberDiffractionKernelGpu.hh File Reference

FiberDiffraction kernel module for GPU computations. More...

#include <core/types.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::fiber_diffraction

Functions
void	core::scoring::fiber_diffraction::calculate_intensity_gpu (Size const l_max, Size const natoms, utility::vector0< utility::vector0< int > >::iterator &nvals, utility::vector0< utility::vector1< core::Real > >::iterator &layer_lines_R, utility::vector0< utility::vector1< core::Real > > &I, utility::vector0< utility::vector1< utility::vector1< core::Real > > >::iterator &form_factors, utility::vector1< Real > &phi, utility::vector1< Real > &z, utility::vector1< Real > &r, utility::vector1< Size > &atom_type_number, Real const c_, Real const res_cutoff_low_, Real const res_cutoff_high_, int const gpu_processor_)
void	core::scoring::fiber_diffraction::calculate_derivatives_gpu (Size const l_max, Size const natoms, utility::vector0< utility::vector0< int > >::iterator &nvals, utility::vector0< utility::vector1< Real > >::iterator &layer_lines_R, utility::vector0< utility::vector1< Real > >::iterator &layer_lines_I, utility::vector0< utility::vector1< Real > > &I, utility::vector0< utility::vector1< utility::vector1< Real > > >::iterator &form_factors, utility::vector1< Real > &phi, utility::vector1< Real > &z, utility::vector1< Real > &r, utility::vector1< Size > &atom_type_number, utility::vector1< numeric::xyzVector< core::Real > > &dchi2_d, utility::vector1< numeric::xyzVector< core::Real > > &dchi2_d_cross_R, Real const c_, Real const res_cutoff_low_, Real const res_cutoff_high_, Real const scale_factor_, Real const square_obs_, int const gpu_processor_, bool rfactor_refinement)

Detailed Description

FiberDiffraction kernel module for GPU computations.

Author

Wojciech Potrzebowski and Ingemar Andre