#include <motif_hash_stuff.hh>

Inheritance diagram for core::scoring::motif::MotifHits:

Public Types
typedef boost::unordered_multimap< uint32_t, uint32_t >	ResMap

Public Member Functions
void	compute_metrics () const

void	filter_redundant ()

void	sort_by_rms_and_energy ()

void	dump_motifs_pdb (std::ostream &out, int &count, Size &atomno, numeric::Xforms const &xforms=XsI) const

void	dump_motifs_pdb (std::string const &fname, Size &atomno, numeric::Xforms const &xforms=XsI) const

void	dump_motifs_pdb (std::string const &fname, core::pose::Pose const &pose, Size &atomno, numeric::Xforms const &xforms=XsI) const

void	dump_motifs_pdb (std::ostream &out, int &count, numeric::Xforms const &xforms=XsI) const

void	dump_motifs_pdb (std::string const &fname, numeric::Xforms const &xforms=XsI) const

void	dump_motifs_pdb (std::string const &fname, core::pose::Pose const &pose, numeric::Xforms const &xforms=XsI) const

void	dump_motifs_pdb (std::ostream &out, numeric::Xforms const &xforms=XsI) const

int	stat_motifs (MotifHitStats &stat) const

std::string	get_resfile (bool restrict=false) const

std::string	get_resfile (bool restrict, std::set< core::Size > &resi_in_resfile) const

void	dump_resfile (std::string fn) const

void	push_back (MotifHit const &h)

void	push_back_raw (MotifHit const &h)

Size	num_hits1 (Size ir) const

Size	num_hits2 (Size ir) const

Size	num_hits (Size ir) const

ResPairMotifPtrs	hits1 (Size ir) const

ResPairMotifPtrs	hits2 (Size ir) const

Public Attributes
int	rescover

int	paircover

Real	total_score

ResMap	resmap1_

ResMap	resmap2_

Friends
std::ostream &	operator<< (std::ostream &out, MotifHits const &h)

Member Typedef Documentation

◆ ResMap

typedef boost::unordered_multimap<uint32_t,uint32_t> core::scoring::motif::MotifHits::ResMap

Member Function Documentation

◆ compute_metrics()

void core::scoring::motif::MotifHits::compute_metrics ( ) const

References paircover, rescover, and total_score.

◆ dump_motifs_pdb() [1/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::ostream &	out,
		int &	count,
		numeric::Xforms const &	xforms = `XsI`
	)		const

inline

References dump_motifs_pdb(), and core::conformation::membrane::out.

Referenced by dump_motifs_pdb().

◆ dump_motifs_pdb() [2/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::ostream &	out,
		int &	count,
		Size &	atomno,
		numeric::Xforms const &	xforms = `XsI`
	)		const

Referenced by protocols::matdes::SchemePlaceMotifsMover::apply(), protocols::legacy_sewing::scoring::LegacyMotifScorer::dump_motif(), and dump_motifs_pdb().

◆ dump_motifs_pdb() [3/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::ostream &	out,
		numeric::Xforms const &	xforms = `XsI`
	)		const

inline

References dump_motifs_pdb(), and core::conformation::membrane::out.

Referenced by dump_motifs_pdb().

◆ dump_motifs_pdb() [4/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::string const &	fname,
		core::pose::Pose const &	pose,
		numeric::Xforms const &	xforms = `XsI`
	)		const

inline

References dump_motifs_pdb().

Referenced by dump_motifs_pdb().

◆ dump_motifs_pdb() [5/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::string const &	fname,
		core::pose::Pose const &	pose,
		Size &	atomno,
		numeric::Xforms const &	xforms = `XsI`
	)		const

References dump_motifs_pdb(), and core::pose::Pose::dump_pdb().

◆ dump_motifs_pdb() [6/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::string const &	fname,
		numeric::Xforms const &	xforms = `XsI`
	)		const

inline

References dump_motifs_pdb().

Referenced by dump_motifs_pdb().

◆ dump_motifs_pdb() [7/7]

void core::scoring::motif::MotifHits::dump_motifs_pdb	(	std::string const &	fname,
		Size &	atomno,
		numeric::Xforms const &	xforms = `XsI`
	)		const

◆ dump_resfile()

void core::scoring::motif::MotifHits::dump_resfile ( std::string fn ) const

References get_resfile(), and core::conformation::membrane::out.

◆ filter_redundant()

void core::scoring::motif::MotifHits::filter_redundant ( )

References core::sequence::end.

◆ get_resfile() [1/2]

std::string core::scoring::motif::MotifHits::get_resfile	(	bool	restrict,
		std::set< core::Size > &	resi_in_resfile
	)		const

◆ get_resfile() [2/2]

string core::scoring::motif::MotifHits::get_resfile ( bool restrict = false ) const

Referenced by dump_resfile().

◆ hits1()

ResPairMotifPtrs core::scoring::motif::MotifHits::hits1 ( Size ir ) const

References resmap1_.

◆ hits2()

ResPairMotifPtrs core::scoring::motif::MotifHits::hits2 ( Size ir ) const

References resmap2_.

◆ num_hits()

Size core::scoring::motif::MotifHits::num_hits ( Size ir ) const

References resmap1_, and resmap2_.

◆ num_hits1()

Size core::scoring::motif::MotifHits::num_hits1 ( Size ir ) const

References resmap1_.

Referenced by core::scoring::motif::MotifHash::get_matching_motifs().

◆ num_hits2()

Size core::scoring::motif::MotifHits::num_hits2 ( Size ir ) const

References resmap2_.

Referenced by core::scoring::motif::MotifHash::get_matching_motifs().

◆ push_back()

void core::scoring::motif::MotifHits::push_back ( MotifHit const & h )

References resmap1_, and resmap2_.

Referenced by core::scoring::motif::MotifHash::get_matching_motifs().

◆ push_back_raw()

void core::scoring::motif::MotifHits::push_back_raw ( MotifHit const & h )

◆ sort_by_rms_and_energy()

void core::scoring::motif::MotifHits::sort_by_rms_and_energy ( )

References core::sequence::end.

◆ stat_motifs()

int core::scoring::motif::MotifHits::stat_motifs ( MotifHitStats & stat ) const

References core::scoring::motif::ResPairMotif::aa1(), core::scoring::motif::ResPairMotif::aa2(), core::conformation::Residue::name1(), core::scoring::pair, core::pose::Pose::residue(), protocols::hybridization::score, core::pose::Pose::secstruct(), core::scoring::motif::ResPairMotif::ss1(), and core::scoring::motif::ResPairMotif::ss2().

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<<	(	std::ostream &	out,
		MotifHits const &	h
	)

friend

Member Data Documentation

◆ paircover

int core::scoring::motif::MotifHits::paircover

Referenced by compute_metrics().

◆ rescover

int core::scoring::motif::MotifHits::rescover

mutable

Referenced by compute_metrics().

◆ resmap1_

ResMap core::scoring::motif::MotifHits::resmap1_

Referenced by hits1(), num_hits(), num_hits1(), and push_back().

◆ resmap2_

ResMap core::scoring::motif::MotifHits::resmap2_

Referenced by hits2(), num_hits(), num_hits2(), and push_back().

◆ total_score

Real core::scoring::motif::MotifHits::total_score

mutable

Referenced by compute_metrics().

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

src/core/scoring/motif/motif_hash_stuff.hh
src/core/scoring/motif/motif_hash_stuff.cc

Public Types

Public Member Functions

Public Attributes

Friends

Member Typedef Documentation

◆ ResMap

Member Function Documentation

◆ compute_metrics()

◆ dump_motifs_pdb() [1/7]

◆ dump_motifs_pdb() [2/7]

◆ dump_motifs_pdb() [3/7]

◆ dump_motifs_pdb() [4/7]

◆ dump_motifs_pdb() [5/7]

◆ dump_motifs_pdb() [6/7]

◆ dump_motifs_pdb() [7/7]

◆ dump_resfile()

◆ filter_redundant()

◆ get_resfile() [1/2]

◆ get_resfile() [2/2]

◆ hits1()

◆ hits2()

◆ num_hits()

◆ num_hits1()

◆ num_hits2()

◆ push_back()

◆ push_back_raw()

◆ sort_by_rms_and_energy()

◆ stat_motifs()

Friends And Related Function Documentation

◆ operator<<

Member Data Documentation

◆ paircover

◆ rescover

◆ resmap1_

◆ resmap2_

◆ total_score