Rosetta: numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real > Class Template Reference

Rosetta

#include <FlatLookup.hh>

Public Member Functions
virtual	~FlatLookup ()=default

template<class InputIterator >
void	initialize (InputIterator first, InputIterator last)

bool	first_match (QueryType &query, EntryType &entry, Real &distance)

bool	closest_match (QueryType &query, EntryType &entry, Real &distance)

bool	closest_match_subset (QueryType &query, EntryType &entry, Real &distance, std::vector< bool > subset)

void	all_matches_below_threshold (QueryType &query, std::vector< Size > &entry_loc_v, std::vector< Real > &distance, Real rms_threshold)

virtual void	prepare_for_query (QueryType &)

virtual Real	entry_distance (QueryType &q, EntryType &e2)=0

virtual Real	entry_radius (EntryType &e)=0

Public Attributes
std::vector< EntryType >	entries

Constructor & Destructor Documentation

◆ ~FlatLookup()

template<class QueryType , class EntryType , class Real = double>

virtual numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::~FlatLookup ( )

virtualdefault

Member Function Documentation

◆ all_matches_below_threshold()

template<class QueryType , class EntryType , class Real = double>

void numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::all_matches_below_threshold	(	QueryType &	query,
		std::vector< Size > &	entry_loc_v,
		std::vector< Real > &	distance,
		Real	rms_threshold
	)

inline

References numeric::distance(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entries, numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_distance(), create_a3b_hbs::ii, numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::prepare_for_query(), cache_trajectory::query, and basic::options::OptionKeys::evolution::rms_threshold.

◆ closest_match()

template<class QueryType , class EntryType , class Real = double>

bool numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match	(	QueryType &	query,
		EntryType &	entry,
		Real &	distance
	)

inline

References numeric::distance(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entries, numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_distance(), create_a3b_hbs::i, max(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::prepare_for_query(), and cache_trajectory::query.

◆ closest_match_subset()

template<class QueryType , class EntryType , class Real = double>

bool numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match_subset	(	QueryType &	query,
		EntryType &	entry,
		Real &	distance,
		std::vector< bool >	subset
	)

inline

References numeric::distance(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entries, numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_distance(), create_a3b_hbs::i, max(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::prepare_for_query(), and cache_trajectory::query.

◆ entry_distance()

template<class QueryType , class EntryType , class Real = double>

virtual Real numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_distance	(	QueryType &	q,
		EntryType &	e2
	)

pure virtual

Implemented in numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >.

Referenced by numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::all_matches_below_threshold(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match_subset(), and numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::first_match().

◆ entry_radius()

template<class QueryType , class EntryType , class Real = double>

virtual Real numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_radius ( EntryType & e )

pure virtual

Implemented in numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >.

Referenced by numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::first_match().

◆ first_match()

template<class QueryType , class EntryType , class Real = double>

bool numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::first_match	(	QueryType &	query,
		EntryType &	entry,
		Real &	distance
	)

inline

References numeric::distance(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entries, numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_distance(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entry_radius(), create_a3b_hbs::i, max(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::prepare_for_query(), and cache_trajectory::query.

◆ initialize()

template<class QueryType , class EntryType , class Real = double>

template<class InputIterator >

void numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::initialize	(	InputIterator	first,
		InputIterator	last
	)

inline

References numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entries, and create_a3b_hbs::first.

◆ prepare_for_query()

template<class QueryType , class EntryType , class Real = double>

virtual void numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::prepare_for_query ( QueryType & )

inlinevirtual

Reimplemented in numeric::coordinate_fitting::CoordinateArray_RMSD_FlatLookup< Real >.

Referenced by numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::all_matches_below_threshold(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match_subset(), and numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::first_match().

Member Data Documentation

◆ entries

template<class QueryType , class EntryType , class Real = double>

std::vector<EntryType> numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::entries

Referenced by numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::all_matches_below_threshold(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::closest_match_subset(), numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::first_match(), and numeric::coordinate_fitting::FlatLookup< QueryType, EntryType, Real >::initialize().

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

src/numeric/coordinate_fitting/FlatLookup.hh