rmsd_calc.hh File Reference

#include <cstdlib>
#include "ndarray.h"
#include <numeric/types.hh>

Classes
class	numeric::alignment::rmsd_calc

Namespaces
	numeric
	Unit headers.
	numeric::alignment

Functions
template<class Real >
void	numeric::alignment::coordinate_array_rmsd (ndarray::Array< Real, 3, 1 > const &first_coordinates, ndarray::Array< Real, 3, 1 > const &second_coordinates, ndarray::Array< Real, 1 > out)
template<class Real >
void	numeric::alignment::coordinate_array_superimpose (ndarray::Array< Real, 3, 1 > const &src_coordinates, ndarray::Array< Real, 3, 1 > const &onto_coordinates, ndarray::Array< Real, 3, 1 > const &superimpose_coordinates, ndarray::Array< Real, 1 > out)
template<class Real >
void	numeric::alignment::coordinate_array_broadcast_rmsd (ndarray::Array< Real, 3, 1 > const &first_coordinates, ndarray::Array< Real, 3, 1 > const &second_coordinates, ndarray::Array< Real, 2 > out)
template<typename Index , typename Real >
void	numeric::alignment::indexed_coordinate_array_broadcast_rmsd (Index coordinates_per_entry, ndarray::Array< Real, 2, 1 > const &first_coordinates, ndarray::Array< Index, 1 > const &first_coordinate_indicies, ndarray::Array< Real, 2, 1 > const &second_coordinates, ndarray::Array< Index, 1 > const &second_coordinate_indicies, ndarray::Array< Real, 2 > out)
template void	numeric::alignment::coordinate_array_rmsd (ndarray::Array< numeric::Real, 3, 1 > const &first_coordinates, ndarray::Array< numeric::Real, 3, 1 > const &second_coordinates, ndarray::Array< numeric::Real, 1 > out)
template void	numeric::alignment::coordinate_array_superimpose (ndarray::Array< numeric::Real, 3, 1 > const &src_coordinates, ndarray::Array< numeric::Real, 3, 1 > const &onto_coordinates, ndarray::Array< numeric::Real, 3, 1 > const &superimpose_coordinates, ndarray::Array< numeric::Real, 1 > out)
template void	numeric::alignment::coordinate_array_broadcast_rmsd (ndarray::Array< numeric::Real, 3, 1 > const &first_coordinates, ndarray::Array< numeric::Real, 3, 1 > const &second_coordinates, ndarray::Array< numeric::Real, 2 > out)
template void	numeric::alignment::indexed_coordinate_array_broadcast_rmsd (numeric::Size coordinates_per_entry, ndarray::Array< numeric::Real, 2, 1 > const &first_coordinates, ndarray::Array< numeric::Size, 1 > const &first_coordinate_indicies, ndarray::Array< numeric::Real, 2, 1 > const &second_coordinates, ndarray::Array< numeric::Size, 1 > const &second_coordinate_indicies, ndarray::Array< numeric::Real, 2 > out)
template void	numeric::alignment::indexed_coordinate_array_broadcast_rmsd (numeric::SSize coordinates_per_entry, ndarray::Array< numeric::Real, 2, 1 > const &first_coordinates, ndarray::Array< numeric::SSize, 1 > const &first_coordinate_indicies, ndarray::Array< numeric::Real, 2, 1 > const &second_coordinates, ndarray::Array< numeric::SSize, 1 > const &second_coordinate_indicies, ndarray::Array< numeric::Real, 2 > out)
template void	numeric::alignment::coordinate_array_rmsd (ndarray::Array< float, 3, 1 > const &first_coordinates, ndarray::Array< float, 3, 1 > const &second_coordinates, ndarray::Array< float, 1 > out)
template void	numeric::alignment::coordinate_array_superimpose (ndarray::Array< float, 3, 1 > const &src_coordinates, ndarray::Array< float, 3, 1 > const &onto_coordinates, ndarray::Array< float, 3, 1 > const &superimpose_coordinates, ndarray::Array< float, 1 > out)
template void	numeric::alignment::coordinate_array_broadcast_rmsd (ndarray::Array< float, 3, 1 > const &first_coordinates, ndarray::Array< float, 3, 1 > const &second_coordinates, ndarray::Array< float, 2 > out)
template void	numeric::alignment::indexed_coordinate_array_broadcast_rmsd (numeric::Size coordinates_per_entry, ndarray::Array< float, 2, 1 > const &first_coordinates, ndarray::Array< numeric::Size, 1 > const &first_coordinate_indicies, ndarray::Array< float, 2, 1 > const &second_coordinates, ndarray::Array< numeric::Size, 1 > const &second_coordinate_indicies, ndarray::Array< float, 2 > out)
template void	numeric::alignment::indexed_coordinate_array_broadcast_rmsd (numeric::SSize coordinates_per_entry, ndarray::Array< float, 2, 1 > const &first_coordinates, ndarray::Array< numeric::SSize, 1 > const &first_coordinate_indicies, ndarray::Array< float, 2, 1 > const &second_coordinates, ndarray::Array< numeric::SSize, 1 > const &second_coordinate_indicies, ndarray::Array< float, 2 > out)