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protocols::toolbox::KClusterData Class Reference

database of a K-style Clustering algorithm More...

#include <KCluster.hh>

Inheritance diagram for protocols::toolbox::KClusterData:
Inheritance graph
[legend]

Public Types

typedef ObjexxFCL::FArray1D_double FA1Dd
 
typedef ObjexxFCL::FArray2D_double FA2Dd
 
typedef ObjexxFCL::FArray2_double FA2d
 
typedef ObjexxFCL::FArray2P_double FA2Pd
 
typedef ObjexxFCL::FArray3P_double FA3Pd
 
typedef utility::vector1
< std::string > 
TagList
 

Public Member Functions

 ~KClusterData () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 KClusterData ()
 
void load_silent_files ()
 
void load_silent_file (std::string, core::Size)
 
core::Size get_ndata () const
 
core::Size get_natom () const
 
std::string get_tag (core::Size i)
 
std::string source_filename (core::Size i)
 
FA3Pd coords ()
 
void mark_tags (KClusterElementOP, std::string)
 
void save_all_in_one ()
 
void save_cluster_tree ()
 
core::Real dist_square (FA2d &, FA2d &)
 
core::Real dist_square (core::Size, core::Size)
 
void show_cluster_assignments ()
 

Private Attributes

protocols::toolbox::DecoySetEvaluation dataset_
 
core::Size ndata_
 
core::Size natom_
 
core::Size n_ca_atom_
 
core::Size nfile_
 
utility::vector1< TagListtags_
 
utility::vector1< TagListoriginal_tags_
 
utility::vector1< std::string > original_filenames_
 
utility::vector1< core::Sizermsd_ca_list_
 

Detailed Description

database of a K-style Clustering algorithm

Member Typedef Documentation

typedef ObjexxFCL::FArray1D_double protocols::toolbox::KClusterData::FA1Dd
typedef ObjexxFCL::FArray2_double protocols::toolbox::KClusterData::FA2d
typedef ObjexxFCL::FArray2D_double protocols::toolbox::KClusterData::FA2Dd
typedef ObjexxFCL::FArray2P_double protocols::toolbox::KClusterData::FA2Pd
typedef ObjexxFCL::FArray3P_double protocols::toolbox::KClusterData::FA3Pd
typedef utility::vector1< std::string > protocols::toolbox::KClusterData::TagList

Constructor & Destructor Documentation

protocols::toolbox::KClusterData::~KClusterData ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

protocols::toolbox::KClusterData::KClusterData ( )

Member Function Documentation

FA3Pd protocols::toolbox::KClusterData::coords ( )
inline
Real protocols::toolbox::KClusterData::dist_square ( FA2d conf1,
FA2d conf2 
)
Real protocols::toolbox::KClusterData::dist_square ( core::Size  ndx1,
core::Size  ndx2 
)
core::Size protocols::toolbox::KClusterData::get_natom ( ) const
inline
core::Size protocols::toolbox::KClusterData::get_ndata ( ) const
inline

References ndata_.

std::string protocols::toolbox::KClusterData::get_tag ( core::Size  i)
inline

References original_tags_.

void protocols::toolbox::KClusterData::load_silent_file ( std::string  silent_file,
core::Size  nfile 
)
void protocols::toolbox::KClusterData::load_silent_files ( )
void protocols::toolbox::KClusterData::mark_tags ( KClusterElementOP  c,
std::string  t 
)

References tags_.

void protocols::toolbox::KClusterData::save_all_in_one ( )
void protocols::toolbox::KClusterData::save_cluster_tree ( )
void protocols::toolbox::KClusterData::show_cluster_assignments ( )

References tags_.

std::string protocols::toolbox::KClusterData::source_filename ( core::Size  i)
inline

References original_filenames_.

Member Data Documentation

protocols::toolbox::DecoySetEvaluation protocols::toolbox::KClusterData::dataset_
private
core::Size protocols::toolbox::KClusterData::n_ca_atom_
private
core::Size protocols::toolbox::KClusterData::natom_
private
core::Size protocols::toolbox::KClusterData::ndata_
private
core::Size protocols::toolbox::KClusterData::nfile_
private
utility::vector1< std::string > protocols::toolbox::KClusterData::original_filenames_
private
utility::vector1< TagList > protocols::toolbox::KClusterData::original_tags_
private

Referenced by get_tag(), and load_silent_file().

utility::vector1< core::Size > protocols::toolbox::KClusterData::rmsd_ca_list_
private

Referenced by KClusterData(), and load_silent_file().

utility::vector1< TagList > protocols::toolbox::KClusterData::tags_
private

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