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::Size >	score_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::Vector >	get_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::Size >	L_ini_
utility::vector0< core::Size >	iA_
utility::vector0< core::Size >	iB_
utility::vector0< core::Vector >	xyza_
utility::vector0< core::Vector >	xyzb_

Constructor & Destructor Documentation

core::scoring::TMscore::TMscore

(

ObjexxFCL::FArray2D< core::Real > const &

p1

)

core::scoring::TMscore::~TMscore

(

)

Member Function Documentation

void core::scoring::TMscore::apply

(

ObjexxFCL::FArray2D< core::Real > const &

p2

)

Referenced by core::scoring::CA_gdttm(), and core::scoring::xyz_gdttm().

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

References core::scoring::TMscoreStore::TM, core::scoring::TMscoreStore::TM_max, core::scoring::TR(), and core::scoring::TMscoreStore::update().

void core::scoring::TMscore::get_ali_params ( )

private

core::Real core::scoring::TMscore::get_GDTHA ( ) const

inline

References core::scoring::TMscoreStore::GDTHA, and score_.

Referenced by core::scoring::CA_gdttm(), and core::scoring::xyz_gdttm().

core::Real core::scoring::TMscore::get_GDTTS ( ) const

inline

References core::scoring::TMscoreStore::GDTTS, and score_.

Referenced by core::scoring::CA_gdttm(), and core::scoring::xyz_gdttm().

core::Real core::scoring::TMscore::get_TMscore ( ) const

inline

References score_, and core::scoring::TMscoreStore::TM_max.

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

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

• src/core/scoring/TMscore.hh
• src/core/scoring/TMscore.cc