Rosetta Protocols  2014.35
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protocols::motif_hash::MotifHash Class Reference

#include <motif_hash_stuff.hh>

Public Types

typedef ResPairMotif Motif
 
typedef boost::uint64_t Key
 
typedef
numeric::geometry::hashing::SixDCoordinateBinner 
SixDCoordinateBinner
 
typedef
numeric::geometry::hashing::bin_index_hasher 
bin_index_hasher
 
typedef
boost::unordered_multimap< Key,
ResPairMotif, bin_index_hasher
MotifMap
 
typedef boost::unordered_map
< Key, float, bin_index_hasher
ScoreMap
 
typedef boost::unordered_set< KeyKeySet
 
typedef
protocols::sic_dock::xyzStripeHashPoseCAP 
ClashChecker
 

Public Member Functions

 MotifHash ()
 
 MotifHash (Real cart_size, Real cart_resl, Real ang_resl)
 
 MotifHash (ResPairMotifs const &motifs)
 
SixDCoordinateBinner const & hasher () const
 
SixDCoordinateBinnerhasher ()
 
void add_motif (Motif const &d)
 
void add_motif (Motif const &d, Key const &key)
 
void add_motif_shift (Motif const &d, Real6 const &shift)
 
void set_score (Key const &k, float const &score)
 
void find_motifs (Key const &k, ResPairMotifs &results) const
 
void find_motifs (Real6 const &rt, ResPairMotifs &results) const
 
int count_motifs (Real6 const &rt) const
 
int count_motifs (Key const &k) const
 
void find_motifs_with_radius (Real6 const &rt, Real radius, vector1< Motif > &results) const
 
float motif_score (Real6 const &rt) const
 
void generate_scoring_hash ()
 
Size num_motifs ()
 
Real cart_size () const
 
Key bin_index (Real6 const &rt) const
 
Key bin_index (Motif const &m) const
 
int dump_matching_motifs (Pose const &pose1, Pose const &pose2, Real radius, std::ostream &out, int &count, ClashChecker clash_check=NULL, bool print=false) const
 
int dump_matching_motifs (Pose const &pose1, Pose const &pose2, std::ostream &out, int &count, ClashChecker clash_check=NULL, bool print=false) const
 
int print_matching_motifs (Pose const &pose1, Pose const &pose2, std::ostream &out, ClashChecker clash_check=NULL) const
 
int stat_matching_motifs (Pose const &pose1, Pose const &pose2, std::map< std::string, Real > &stats, ClashChecker clash_check=NULL, Real radius=0.0) const
 
int get_matching_motifs (Pose const &pose1, Pose const &pose2, MotifHits &hits, ClashChecker clash_check=NULL, Real radius=0.0) const
 
int get_matching_motifs (Pose const &pose1, Pose const &pose2, Bools const &useres1, Bools const &useres2, MotifHits &hits, ClashChecker clash_check=NULL, Real radius=0.0) const
 
int get_matching_motifs (Pose const &pose, core::pack::task::PackerTaskCOP ptask, MotifHits &hits, ClashChecker clash_check=NULL, Real radius=0.0) const
 
MotifRotamerSetOperationCOP get_matching_motifs_rotsetop (Pose const &pose, core::pack::task::PackerTaskCOP ptask=NULL, Real radius=0.6, ClashChecker clash_check=NULL) const
 
KeySet::const_iterator begin ()
 
KeySet::const_iterator end ()
 
KeySet const & key_set () const
 

Public Attributes

double const cart_size_
 
double const cart_resl_
 
double const angle_resl_
 
SixDCoordinateBinner hasher_
 
MotifMap motif_hash_
 
ScoreMap score_hash_
 
KeySet key_set_
 

Friends

std::ostream & operator<< (std::ostream &out, MotifHash const &x)
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::motif_hash::MotifHash::MotifHash ( )
protocols::motif_hash::MotifHash::MotifHash ( Real  cart_size,
Real  cart_resl,
Real  ang_resl 
)
protocols::motif_hash::MotifHash::MotifHash ( ResPairMotifs const &  motifs)

Member Function Documentation

void protocols::motif_hash::MotifHash::add_motif ( Motif const &  d)
void protocols::motif_hash::MotifHash::add_motif ( Motif const &  d,
Key const &  key 
)

References key_set_, and motif_hash_.

void protocols::motif_hash::MotifHash::add_motif_shift ( Motif const &  d,
Real6 const &  shift 
)
KeySet::const_iterator protocols::motif_hash::MotifHash::begin ( )
inline
MotifHash::Key protocols::motif_hash::MotifHash::bin_index ( Real6 const &  rt) const
MotifHash::Key protocols::motif_hash::MotifHash::bin_index ( Motif const &  m) const
Real protocols::motif_hash::MotifHash::cart_size ( ) const
inline
int protocols::motif_hash::MotifHash::count_motifs ( Real6 const &  rt) const

References bin_index().

int protocols::motif_hash::MotifHash::count_motifs ( Key const &  k) const
int protocols::motif_hash::MotifHash::dump_matching_motifs ( Pose const &  pose1,
Pose const &  pose2,
Real  radius,
std::ostream &  out,
int count,
ClashChecker  clash_check = NULL,
bool  print = false 
) const
int protocols::motif_hash::MotifHash::dump_matching_motifs ( Pose const &  pose1,
Pose const &  pose2,
std::ostream &  out,
int count,
ClashChecker  clash_check = NULL,
bool  print = false 
) const
KeySet::const_iterator protocols::motif_hash::MotifHash::end ( )
inline
void protocols::motif_hash::MotifHash::find_motifs ( Key const &  k,
ResPairMotifs results 
) const
void protocols::motif_hash::MotifHash::find_motifs ( Real6 const &  rt,
ResPairMotifs results 
) const

References bin_index(), and find_motifs().

void protocols::motif_hash::MotifHash::find_motifs_with_radius ( Real6 const &  rt,
Real  radius,
vector1< Motif > &  results 
) const
void protocols::motif_hash::MotifHash::generate_scoring_hash ( )
int protocols::motif_hash::MotifHash::get_matching_motifs ( Pose const &  pose1,
Pose const &  pose2,
MotifHits hits,
ClashChecker  clash_check = NULL,
Real  radius = 0.0 
) const
int protocols::motif_hash::MotifHash::get_matching_motifs ( Pose const &  pose1,
Pose const &  pose2,
Bools const &  useres1,
Bools const &  useres2,
MotifHits hits,
ClashChecker  clash_check = NULL,
Real  radius = 0.0 
) const
int protocols::motif_hash::MotifHash::get_matching_motifs ( Pose const &  pose,
core::pack::task::PackerTaskCOP  ptask,
MotifHits hits,
ClashChecker  clash_check = NULL,
Real  radius = 0.0 
) const
MotifRotamerSetOperationCOP protocols::motif_hash::MotifHash::get_matching_motifs_rotsetop ( Pose const &  pose,
core::pack::task::PackerTaskCOP  ptask = NULL,
Real  radius = 0.6,
ClashChecker  clash_check = NULL 
) const
SixDCoordinateBinner const& protocols::motif_hash::MotifHash::hasher ( ) const
inline
SixDCoordinateBinner& protocols::motif_hash::MotifHash::hasher ( )
inline

References hasher_.

KeySet const& protocols::motif_hash::MotifHash::key_set ( ) const
inline

References key_set_.

float protocols::motif_hash::MotifHash::motif_score ( Real6 const &  rt) const

References bin_index().

Size protocols::motif_hash::MotifHash::num_motifs ( )
inline

References motif_hash_.

int protocols::motif_hash::MotifHash::print_matching_motifs ( Pose const &  pose1,
Pose const &  pose2,
std::ostream &  out,
ClashChecker  clash_check = NULL 
) const
void protocols::motif_hash::MotifHash::set_score ( Key const &  k,
float const &  score 
)

References score_hash_.

int protocols::motif_hash::MotifHash::stat_matching_motifs ( Pose const &  pose1,
Pose const &  pose2,
std::map< std::string, Real > &  stats,
ClashChecker  clash_check = NULL,
Real  radius = 0.0 
) const

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  out,
MotifHash const &  x 
)
friend

Member Data Documentation

double const protocols::motif_hash::MotifHash::angle_resl_
double const protocols::motif_hash::MotifHash::cart_resl_
double const protocols::motif_hash::MotifHash::cart_size_
SixDCoordinateBinner protocols::motif_hash::MotifHash::hasher_
KeySet protocols::motif_hash::MotifHash::key_set_

Referenced by add_motif(), begin(), end(), and key_set().

MotifMap protocols::motif_hash::MotifHash::motif_hash_
ScoreMap protocols::motif_hash::MotifHash::score_hash_

Referenced by set_score().


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