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core::scoring::TMscore Class Reference

#include <TMscore.hh>

Public Member Functions

 TMscore (ObjexxFCL::FArray2D< core::Real > const &p1)
 
 ~TMscore ()
 
void apply (ObjexxFCL::FArray2D< core::Real > const &p2)
 
void apply (ObjexxFCL::FArray2D< core::Real > const &p2, utility::vector0< core::Vector > &u, core::Vector &t, bool const get_ut)
 
core::Real get_TMscore () const
 
core::Real get_GDTTS () const
 
core::Real get_GDTHA () const
 

Private Member Functions

core::Size iA (core::Size const i) const
 
core::Size iB (core::Size const i) const
 
void set_default ()
 
void convert_FArray2D_to_vector0 (ObjexxFCL::FArray2D< core::Real > const &p1, utility::vector0< core::Vector > &xyz)
 
void get_ali_params ()
 
utility::vector0< core::Sizescore_fun (core::Real const d, utility::vector0< core::Vector > const &vt, TMscoreStore &score) const
 end apply More...
 
void extend (core::Real const &d, TMscoreStore &score, utility::vector0< core::Vector > &u, core::Vector &t, utility::vector0< core::Size > &i_ali, utility::vector0< core::Size > &k_ali0) const
 
utility::vector0< core::Vectorget_transrot_ref (utility::vector0< core::Size > const &k_ali, utility::vector0< core::Vector > &u, core::Vector &t) const
 

Private Attributes

TMscoreStore score_
 
core::Size nseq_
 
core::Real d0_
 
core::Real d0_search_
 
utility::vector1< core::SizeL_ini_
 
utility::vector0< core::SizeiA_
 
utility::vector0< core::SizeiB_
 
utility::vector0< core::Vectorxyza_
 
utility::vector0< core::Vectorxyzb_
 

Constructor & Destructor Documentation

core::scoring::TMscore::TMscore ( ObjexxFCL::FArray2D< core::Real > const &  p1)
core::scoring::TMscore::~TMscore ( )
default

Member Function Documentation

void core::scoring::TMscore::apply ( ObjexxFCL::FArray2D< core::Real > const &  p2)
void core::scoring::TMscore::apply ( ObjexxFCL::FArray2D< core::Real > const &  p2,
utility::vector0< core::Vector > &  u,
core::Vector t,
bool const  get_ut 
)
void core::scoring::TMscore::convert_FArray2D_to_vector0 ( ObjexxFCL::FArray2D< core::Real > const &  p1,
utility::vector0< core::Vector > &  xyz 
)
private
void core::scoring::TMscore::extend ( core::Real const &  d,
TMscoreStore score,
utility::vector0< core::Vector > &  u,
core::Vector t,
utility::vector0< core::Size > &  i_ali,
utility::vector0< core::Size > &  k_ali0 
) const
private
void core::scoring::TMscore::get_ali_params ( )
private
core::Real core::scoring::TMscore::get_GDTHA ( ) const
inline
core::Real core::scoring::TMscore::get_GDTTS ( ) const
inline
core::Real core::scoring::TMscore::get_TMscore ( ) const
inline
utility::vector0< core::Vector > core::scoring::TMscore::get_transrot_ref ( utility::vector0< core::Size > const &  k_ali,
utility::vector0< core::Vector > &  u,
core::Vector t 
) const
private
core::Size core::scoring::TMscore::iA ( core::Size const  i) const
inlineprivate

References iA_.

core::Size core::scoring::TMscore::iB ( core::Size const  i) const
inlineprivate

References iB_.

utility::vector0< core::Size > core::scoring::TMscore::score_fun ( core::Real const  d,
utility::vector0< core::Vector > const &  vt,
TMscoreStore score 
) const
private

end apply

1, collect those residues with dis<d

  1. calculate score_GDT, score_maxsub, score_TM

References core::scoring::TMscoreStore::add_residue_dis(), core::scoring::TMscoreStore::apply(), core::scoring::TMscoreStore::clear(), and core::scoring::TMscoreStore::update().

void core::scoring::TMscore::set_default ( )
private

References core::scoring::TR().

Member Data Documentation

core::Real core::scoring::TMscore::d0_
private
core::Real core::scoring::TMscore::d0_search_
private
utility::vector0< core::Size > core::scoring::TMscore::iA_
private

Referenced by iA().

utility::vector0< core::Size > core::scoring::TMscore::iB_
private

Referenced by iB().

utility::vector1< core::Size > core::scoring::TMscore::L_ini_
private
core::Size core::scoring::TMscore::nseq_
private
TMscoreStore core::scoring::TMscore::score_
private

Referenced by get_GDTHA(), get_GDTTS(), and get_TMscore().

utility::vector0< core::Vector > core::scoring::TMscore::xyza_
private
utility::vector0< core::Vector > core::scoring::TMscore::xyzb_
private

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