numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real > Struct Template Reference

#include <CoordinateArray_RMSD_FlatLookup.hh>

Inheritance diagram for numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >:

Public Types
typedef numeric::alignment::QCPKernel < Real >	Kernel

Public Member Functions
	CoordinateArray_RMSD_FlatLookup (Real *entry_coords, Real *entry_rad, numeric::Size n_entries, numeric::Size coords_per_entry)
void	prepare_for_query (Real *&q) override
Real	entry_distance (Real *&q, numeric::Size &e) override
Real	entry_radius (numeric::Size &e) override
Public Member Functions inherited from numeric::coordinate_fitting::FlatLookup< Real *, numeric::Size, Real >
virtual	~FlatLookup ()=default
void	initialize (InputIterator first, InputIterator last)
bool	first_match (Real *&query, numeric::Size &entry, Real &distance)
bool	closest_match (Real *&query, numeric::Size &entry, Real &distance)
bool	closest_match_subset (Real *&query, numeric::Size &entry, Real &distance, std::vector< bool > subset)
void	all_matches_below_threshold (Real *&query, std::vector< Size > &entry_loc_v, std::vector< Real > &distance, Real rms_threshold)

Public Attributes
Real *	entry_coordinates
Real *	entry_radii
numeric::Size	num_entries
numeric::Size	coordinates_per_entry
numeric::Size	entry_size
std::vector< typename Kernel::Point >	fragment_centers
Kernel::Point	query_center
Public Attributes inherited from numeric::coordinate_fitting::FlatLookup< Real *, numeric::Size, Real >
std::vector< numeric::Size >	entries

Member Typedef Documentation

template<class Real = double>

typedef numeric::alignment::QCPKernel<Real> numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::Kernel

Constructor & Destructor Documentation

template<class Real = double>

numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::CoordinateArray_RMSD_FlatLookup ( Real *  entry_coords, Real *  entry_rad, numeric::Size  n_entries, numeric::Size  coords_per_entry  )

inline

References numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::coordinates_per_entry, numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_coordinates, numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_size, numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::fragment_centers, test.T150_PyMOL_Integration::i, numeric::coordinate_fitting::FlatLookup< Real *, numeric::Size, Real >::initialize(), and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::num_entries.

Member Function Documentation

template<class Real = double>

Real numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_distance ( Real *&  q, numeric::Size &  e  )

inlineoverridevirtual

Implements numeric::coordinate_fitting::FlatLookup< Real *, numeric::Size, Real >.

References numeric::alignment::QCPKernel< Real >::calc_coordinate_rmsd(), numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::coordinates_per_entry, numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_coordinates, numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_size, numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::fragment_centers, and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::query_center.

template<class Real = double>

Real numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_radius ( numeric::Size &  e )

inlineoverridevirtual

Implements numeric::coordinate_fitting::FlatLookup< Real *, numeric::Size, Real >.

References test.T009_Exceptions::e, and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_radii.

template<class Real = double>

void numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::prepare_for_query ( Real *&  q )

inlineoverridevirtual

Reimplemented from numeric::coordinate_fitting::FlatLookup< Real *, numeric::Size, Real >.

References numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::coordinates_per_entry, and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::query_center.

Member Data Documentation

template<class Real = double>

numeric::Size numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::coordinates_per_entry

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::CoordinateArray_RMSD_FlatLookup(), numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_distance(), and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::prepare_for_query().

template<class Real = double>

Real* numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_coordinates

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::CoordinateArray_RMSD_FlatLookup(), and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_distance().

template<class Real = double>

Real* numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_radii

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_radius().

template<class Real = double>

numeric::Size numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_size

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::CoordinateArray_RMSD_FlatLookup(), and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_distance().

template<class Real = double>

std::vector<typename Kernel::Point> numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::fragment_centers

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::CoordinateArray_RMSD_FlatLookup(), and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_distance().

template<class Real = double>

numeric::Size numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::num_entries

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::CoordinateArray_RMSD_FlatLookup().

template<class Real = double>

Kernel::Point numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::query_center

Referenced by numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::entry_distance(), and numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >::prepare_for_query().

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The documentation for this struct was generated from the following file:

• src/numeric/coordinate_fitting/CoordinateArray_RMSD_FlatLookup.hh