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numeric::alignment Namespace Reference

Classes

class  QCPKernel
 
class  rmsd_calc
 

Functions

template void coordinate_array_rmsd< numeric::Real > (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 coordinate_array_superimpose< numeric::Real > (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 coordinate_array_broadcast_rmsd< numeric::Real > (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 indexed_coordinate_array_broadcast_rmsd< numeric::Size, numeric::Real > (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 indexed_coordinate_array_broadcast_rmsd< numeric::SSize, numeric::Real > (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 coordinate_array_rmsd< float > (ndarray::Array< float, 3, 1 > const &first_coordinates, ndarray::Array< float, 3, 1 > const &second_coordinates, ndarray::Array< float, 1 > out)
 
template void coordinate_array_superimpose< float > (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 coordinate_array_broadcast_rmsd< float > (ndarray::Array< float, 3, 1 > const &first_coordinates, ndarray::Array< float, 3, 1 > const &second_coordinates, ndarray::Array< float, 2 > out)
 
template void indexed_coordinate_array_broadcast_rmsd< numeric::Size, float > (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 indexed_coordinate_array_broadcast_rmsd< numeric::SSize, float > (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)
 
template<class Real >
void 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 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 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 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 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 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 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 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 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 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 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 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 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 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)
 
template<typename Module >
void bind_rmsd_calc (Module &m)
 

Function Documentation

template<typename Module >
void numeric::alignment::bind_rmsd_calc ( Module &  m)
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 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::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::coordinate_array_broadcast_rmsd< float > ( 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::coordinate_array_broadcast_rmsd< numeric::Real > ( 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<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 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_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_rmsd< float > ( 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_rmsd< numeric::Real > ( 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<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 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_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_superimpose< float > ( 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_superimpose< numeric::Real > ( 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<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::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::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 
)
template void numeric::alignment::indexed_coordinate_array_broadcast_rmsd< numeric::Size, float > ( 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::Size, numeric::Real > ( 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, float > ( 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 
)
template void numeric::alignment::indexed_coordinate_array_broadcast_rmsd< numeric::SSize, numeric::Real > ( 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 
)