Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Score_ordering_computer< Structure, AlignmentEngine > Class Template Reference

#include <Score_ordering_computer.hpp>

Classes

struct  DDM_comparator
 A comparator to compare DDM triplets, used for sorting the DDM triplets. More...
 

Public Types

typedef AlignmentEngine Alignment_engine
 
typedef T_Score_ordering_computer< Structure, Alignment_engineSelf
 
typedef Alignment_engine::Distance_difference_matrix DDM
 
typedef Alignment_engine::Aligned_pair Aligned_pair
 
typedef Alignment_engine::Alignment_type Alignment_type
 
typedef std::pair< double, Aligned_pairDDM_triplet
 A triplet containing the pairing of two particles and its associated score. More...
 
typedef std::vector< DDM_tripletScore_ordering
 An ordering of the particles with respect to their score (distance difference). More...
 
typedef Score_ordering::iterator Score_ordering_iterator
 An iterator for the score ordering. More...
 
typedef Structure::value_type Residue
 Representation of a molecular residue. More...
 
typedef Residue::SSE_Type SSE_Type
 
typedef Residue::SSE SSE
 
typedef Residue::Atoms_iterator Atoms_iterator
 

Internal Methods

void build_score_ordering ()
 
void print_plots (const std::string &prefix)
 
Score_ordering_iterator score_ordering_begin ()
 
Score_ordering_iterator score_ordering_end ()
 

Member Typedef Documentation

◆ Aligned_pair

◆ Alignment_engine

typedef AlignmentEngine Alignment_engine

◆ Alignment_type

◆ Atoms_iterator

typedef Residue::Atoms_iterator Atoms_iterator

◆ DDM

typedef Alignment_engine::Distance_difference_matrix DDM

◆ DDM_triplet

typedef std::pair<double, Aligned_pair> DDM_triplet

A triplet containing the pairing of two particles and its associated score.

Each particle of the pairing is referenced by its residue sequence number. Here both particles belong to the same chain. The score is the distance difference associated with these two particles and their partners in the second protein.

◆ Residue

typedef Structure::value_type Residue

Representation of a molecular residue.

Must provide access to all residue information, notably an iterator over its atoms and all the usual information (i.e. residue name, sequence number...)

◆ Score_ordering

typedef std::vector<DDM_triplet> Score_ordering

An ordering of the particles with respect to their score (distance difference).

Note that some particles may have the same score.

◆ Score_ordering_iterator

typedef Score_ordering::iterator Score_ordering_iterator

An iterator for the score ordering.

◆ Self

◆ SSE

typedef Residue::SSE SSE

◆ SSE_Type

typedef Residue::SSE_Type SSE_Type

Member Function Documentation

◆ build_score_ordering()

void build_score_ordering
inline

◆ print_plots()

void print_plots ( const std::string &  prefix)
inline

◆ score_ordering_begin()

Score_ordering_iterator score_ordering_begin ( )
inline

◆ score_ordering_end()

Score_ordering_iterator score_ordering_end ( )
inline