Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Score_computer_K< CanonizedResidue > Class Template Reference

#include <Score_computer_K.hpp>

Public Types

typedef CanonizedResidue Canonized_residue
 
typedef T_Score_computer_K< Canonized_residueSelf
 
typedef Canonized_residue::Canonized_segment Canonized_segment
 
typedef Canonized_residue::K K
 
typedef K::FT Score_type
 
typedef std::map< int, Score_typeParameter_map
 
typedef Canonized_residue::Point_3 Point_3
 

Constructors

 T_Score_computer_K ()
 Default constructor. More...
 
 T_Score_computer_K (bool spatial_on)
 Specify whether to use the spatial score. More...
 
 T_Score_computer_K (const Self &other)
 Copy constructor. More...
 

Internal public methods

Score_type operator() (const Canonized_residue &CA_i, const Canonized_residue &CA_j)
 
Score_type get_template_strand_score (const Canonized_residue &res)
 
Score_type get_template_helix_score (const Canonized_residue &res)
 
template<class StructureType >
void write_local_distance_matrix (const std::string &prefix, const StructureType &struct_1, const StructureType &struct_2)
 
template<class StructureType >
void write_spatial_distance_matrix (const std::string &prefix, const StructureType &struct_1, const StructureType &struct_2)
 
static void add_options (boost::program_options::options_description &options)
 

Detailed Description

template<class CanonizedResidue>
class SBL::CSB::T_Score_computer_K< CanonizedResidue >

Given two canonized residues compute the so-called K score for the Kpax algorithm (D. Ritchie)

Member Typedef Documentation

◆ Canonized_residue

typedef CanonizedResidue Canonized_residue

◆ Canonized_segment

typedef Canonized_residue::Canonized_segment Canonized_segment

◆ K

typedef Canonized_residue::K K

◆ Parameter_map

typedef std::map<int, Score_type> Parameter_map

◆ Point_3

typedef Canonized_residue::Point_3 Point_3

◆ Score_type

typedef K::FT Score_type

◆ Self

Constructor & Destructor Documentation

◆ T_Score_computer_K() [1/3]

Default constructor.

◆ T_Score_computer_K() [2/3]

T_Score_computer_K ( bool  spatial_on)
inline

Specify whether to use the spatial score.

◆ T_Score_computer_K() [3/3]

T_Score_computer_K ( const Self other)
inline

Copy constructor.

Member Function Documentation

◆ add_options()

void add_options ( boost::program_options::options_description &  options)
inlinestatic

◆ get_template_helix_score()

T_Score_computer_K< CanonizedResidue >::Score_type get_template_helix_score ( const Canonized_residue res)
inline

◆ get_template_strand_score()

T_Score_computer_K< CanonizedResidue >::Score_type get_template_strand_score ( const Canonized_residue res)
inline

◆ operator()()

T_Score_computer_K< CanonizedResidue >::Score_type operator() ( const Canonized_residue CA_i,
const Canonized_residue CA_j 
)
inline

◆ write_local_distance_matrix()

void write_local_distance_matrix ( const std::string &  prefix,
const StructureType &  struct_1,
const StructureType &  struct_2 
)
inline

◆ write_spatial_distance_matrix()

void write_spatial_distance_matrix ( const std::string &  prefix,
const StructureType &  struct_1,
const StructureType &  struct_2 
)
inline