protocols::match::MatchCounter Class Reference

Class for counting the number of matches given a particular discretization level. More...

#include <MatchSet.hh>

Inheritance diagram for protocols::match::MatchCounter:

Public Types
typedef core::Real	Real
typedef core::Size	Size
typedef core::Vector	Vector
typedef numeric::geometry::BoundingBox < Vector >	BoundingBox
typedef numeric::geometry::hashing::Bin6D	Bin6D
typedef utility::vector1 < core::Size >	HitCounts
typedef boost::unordered_map < boost::uint64_t, HitCounts, numeric::geometry::hashing::bin_index_hasher >	HitHash

Public Member Functions
	MatchCounter ()
	~MatchCounter () override
void	set_bounding_box (BoundingBox const &bb)
	Use the same bounding box as the HitHasher / OccupiedSpaceHash. More...
void	set_n_geometric_constraints (core::Size ngeomcsts)
void	set_uniform_xyz_bin_width (Real bin_width)
	Give the same xyz bin witdh given to the HitHasher / OccupiedSpaceHash. More...
void	set_uniform_euler_angle_bin_width (Real bin_width_degrees)
	Give the same euler-angle bin witdh given to the HitHasher / OccupiedSpaceHash. More...
void	set_xyz_bin_widths (Vector const &bin_widths)
	Give the same xyz bin witdhs given to the HitHasher / OccupiedSpaceHash. More...
void	set_euler_bin_widths (Vector const &euler_bin_widths)
	Give the same euler-angle bin witdhs given to the HitHasher / OccupiedSpaceHash. More...
void	initialize ()
	Call this after the bounding-box and the bin-widths have been set up. Must be called before "add_hits" it called. This initializes the SixDCoordinateBinner. More...
void	add_hits (core::Size geomcst_id, std::list< Hit > const &hitlist)
	Add hits from a list of hits for a particular geometric constraint. More...
void	add_hits (core::Size geomcst_id, std::list< Hit const * > const &hitptrlist)
	Add hit from the input list of hits for a particular geometric constraint. More...
core::Size	count_n_matches () const
	Possibly slow method to predict the total number of matches given a set of hits and a particular grid resolution. (The main function that this class provides). More...

Private Attributes
BoundingBox	bb_
core::Size	n_geom_csts_
bool	initialized_
utility::fixedsizearray1< Real, 3 >	xyz_bin_widths_
utility::fixedsizearray1< Real, 3 >	euler_bin_widths_
numeric::geometry::hashing::SixDCoordinateBinnerOP	binner_
HitHash	hash_

Detailed Description

Class for counting the number of matches given a particular discretization level.

Member Typedef Documentation

typedef numeric::geometry::hashing::Bin6D protocols::match::MatchCounter::Bin6D

typedef numeric::geometry::BoundingBox< Vector > protocols::match::MatchCounter::BoundingBox

typedef utility::vector1< core::Size > protocols::match::MatchCounter::HitCounts

typedef boost::unordered_map< boost::uint64_t, HitCounts, numeric::geometry::hashing::bin_index_hasher > protocols::match::MatchCounter::HitHash

typedef core::Real protocols::match::MatchCounter::Real

typedef core::Size protocols::match::MatchCounter::Size

typedef core::Vector protocols::match::MatchCounter::Vector

Constructor & Destructor Documentation

protocols::match::MatchCounter::MatchCounter

(

)

protocols::match::MatchCounter::~MatchCounter ( )

overridedefault

Member Function Documentation

void protocols::match::MatchCounter::add_hits	(	core::Size	geomcst_id,
		std::list< Hit > const &	hitlist
	)

Add hits from a list of hits for a particular geometric constraint.

References binner_, hash_, initialized_, and n_geom_csts_.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

void protocols::match::MatchCounter::add_hits	(	core::Size	geomcst_id,
		std::list< Hit const * > const &	hitptrlist
	)

Add hit from the input list of hits for a particular geometric constraint.

References binner_, hash_, initialized_, and n_geom_csts_.

MatchCounter::Size protocols::match::MatchCounter::count_n_matches

(

)

const

Possibly slow method to predict the total number of matches given a set of hits and a particular grid resolution. (The main function that this class provides).

This function computes a lower bound on the number of matches. It will miss matches that are neighboring grid cells – matches that the match enumeration step later will find. This function, though, needs to be fast more than it needs to be perfectly accurate. A previous implementation performed a perfect, non-redundant counting of all the matches, but at considerable computational expense: at each decrease in the grid spacing, the number of non-empty cells in the hash table increases. The result was that the dynamic-grid refinement step would slow more and more as finer grid spacings were considered: exactly opposite of the purpose of the dynamic grid refinment.

References hash_, initialized_, and protocols::analysis::total.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

void protocols::match::MatchCounter::initialize

(

)

Call this after the bounding-box and the bin-widths have been set up. Must be called before "add_hits" it called. This initializes the SixDCoordinateBinner.

Construct the hash table based on the parameters set previously

References bb_, binner_, euler_bin_widths_, initialized_, and xyz_bin_widths_.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

void protocols::match::MatchCounter::set_bounding_box

(

BoundingBox const &

bb

)

Use the same bounding box as the HitHasher / OccupiedSpaceHash.

References bb_, and initialized_.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

void protocols::match::MatchCounter::set_euler_bin_widths

(

Vector const &

euler_bin_widths

)

Give the same euler-angle bin witdhs given to the HitHasher / OccupiedSpaceHash.

References euler_bin_widths_, and initialized_.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

void protocols::match::MatchCounter::set_n_geometric_constraints

(

core::Size

ngeomcsts

)

References initialized_, and n_geom_csts_.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

void protocols::match::MatchCounter::set_uniform_euler_angle_bin_width

(

Real

bin_width_degrees

)

Give the same euler-angle bin witdh given to the HitHasher / OccupiedSpaceHash.

References euler_bin_widths_, and initialized_.

void protocols::match::MatchCounter::set_uniform_xyz_bin_width

(

Real

bin_width

)

Give the same xyz bin witdh given to the HitHasher / OccupiedSpaceHash.

References initialized_, and xyz_bin_widths_.

void protocols::match::MatchCounter::set_xyz_bin_widths

(

Vector const &

bin_widths

)

Give the same xyz bin witdhs given to the HitHasher / OccupiedSpaceHash.

References initialized_, and xyz_bin_widths_.

Referenced by protocols::match::Matcher::estimate_n_matches_for_hit_subsets().

Member Data Documentation

BoundingBox protocols::match::MatchCounter::bb_

private

Referenced by initialize(), and set_bounding_box().

numeric::geometry::hashing::SixDCoordinateBinnerOP protocols::match::MatchCounter::binner_

private

Referenced by add_hits(), and initialize().

utility::fixedsizearray1< Real, 3 > protocols::match::MatchCounter::euler_bin_widths_

private

Referenced by initialize(), set_euler_bin_widths(), and set_uniform_euler_angle_bin_width().

HitHash protocols::match::MatchCounter::hash_

private

Referenced by add_hits(), and count_n_matches().

bool protocols::match::MatchCounter::initialized_

private

Referenced by add_hits(), count_n_matches(), initialize(), set_bounding_box(), set_euler_bin_widths(), set_n_geometric_constraints(), set_uniform_euler_angle_bin_width(), set_uniform_xyz_bin_width(), and set_xyz_bin_widths().

core::Size protocols::match::MatchCounter::n_geom_csts_

private

Referenced by add_hits(), and set_n_geometric_constraints().

utility::fixedsizearray1< Real, 3 > protocols::match::MatchCounter::xyz_bin_widths_

private

Referenced by initialize(), set_uniform_xyz_bin_width(), and set_xyz_bin_widths().

---

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

• src/protocols/match/MatchSet.hh
• src/protocols/match/MatchSet.cc