Rosetta: core::scoring::DensityZscoresStatsSetup Class Reference

Rosetta

#include <DensityZscoresStatsSetup.hh>

Inheritance diagram for core::scoring::DensityZscoresStatsSetup:

Inheritance graph

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Public Member Functions
	DensityZscoresStatsSetup ()
	default constructor More...

	~DensityZscoresStatsSetup () override
	default destructor More...

core::Real	eval_zscore_by_resn_bfactor (core::Real const input_val, std::string const &resn, core::Real const bfactor, core::Size const window_size) const
	return window 1 or window 3 zscores given an amino acid identity and a bfactor More...

Private Types
typedef std::map< std::string, std::map< core::Real, core::Real > >	DensZScoreMap

typedef utility::vector1< std::tuple< core::Real, core::Real > >	DensZscoreBfacBins

Private Member Functions
DensZScoreMap	read_database_file (std::string const &dbfile)

void	set_db_headers (std::string const &dbfile)
	set headers from database files More...

void	set_statistics_from_database ()
	read database files and store data in maps More...

core::Real	calc_weighted_zscore (core::Size const bfbin, core::Real const input_val, std::string const &resn, DensZScoreMap const &means, DensZScoreMap const &stdevs) const
	calculate weighted z-score More...

Private Attributes
std::string const	WIN3RES_MEANS_DBFILE_ = "scoring/electron_density/lgwin_resCC_mean.csv"

std::string const	WIN1RES_MEANS_DBFILE_ = "scoring/electron_density/smwin_resCC_mean.csv"

std::string const	WIN3RES_STDEVS_DBFILE_ = "scoring/electron_density/lgwin_resCC_std.csv"

std::string const	WIN1RES_STDEVS_DBFILE_ = "scoring/electron_density/smwin_resCC_std.csv"

DensZscoreBfacBins	bfac_bins_start_end_

std::string const	header_delim_ = " to "

DensZScoreMap	win3res_db_means_

DensZScoreMap	win1res_db_means_

DensZScoreMap	win3res_db_stdevs_

DensZScoreMap	win1res_db_stdevs_

Member Typedef Documentation

◆ DensZscoreBfacBins

typedef utility::vector1< std::tuple< core::Real, core::Real > > core::scoring::DensityZscoresStatsSetup::DensZscoreBfacBins

private

◆ DensZScoreMap

typedef std::map< std::string, std::map < core::Real, core::Real > > core::scoring::DensityZscoresStatsSetup::DensZScoreMap

private

Constructor & Destructor Documentation

◆ DensityZscoresStatsSetup()

core::scoring::DensityZscoresStatsSetup::DensityZscoresStatsSetup ( )

default constructor

constructor

References set_statistics_from_database().

◆ ~DensityZscoresStatsSetup()

core::scoring::DensityZscoresStatsSetup::~DensityZscoresStatsSetup ( )

overridedefault

default destructor

deconstructor

Member Function Documentation

◆ calc_weighted_zscore()

core::Real core::scoring::DensityZscoresStatsSetup::calc_weighted_zscore	(	core::Size const	bfbin,
		core::Real const	input_val,
		std::string const &	resn,
		DensZScoreMap const &	means,
		DensZScoreMap const &	stdevs
	)		const

private

calculate weighted z-score

References bfac_bins_start_end_.

Referenced by eval_zscore_by_resn_bfactor().

◆ eval_zscore_by_resn_bfactor()

core::Real core::scoring::DensityZscoresStatsSetup::eval_zscore_by_resn_bfactor	(	core::Real const	input_val,
		std::string const &	resn,
		core::Real const	bfactor,
		core::Size const	window_size
	)		const

return window 1 or window 3 zscores given an amino acid identity and a bfactor

References bfac_bins_start_end_, calc_weighted_zscore(), win1res_db_means_, win1res_db_stdevs_, win3res_db_means_, and win3res_db_stdevs_.

Referenced by protocols::electron_density::DensityZscores::apply().

◆ read_database_file()

DensZScoreMap core::scoring::DensityZscoresStatsSetup::read_database_file ( std::string const & dbfile )

private

References bfac_bins_start_end_.

Referenced by set_statistics_from_database().

◆ set_db_headers()

void core::scoring::DensityZscoresStatsSetup::set_db_headers ( std::string const & dbfile )

private

set headers from database files

References bfac_bins_start_end_, and header_delim_.

Referenced by set_statistics_from_database().

◆ set_statistics_from_database()

void core::scoring::DensityZscoresStatsSetup::set_statistics_from_database ( )

private

read database files and store data in maps

References read_database_file(), set_db_headers(), win1res_db_means_, win1res_db_stdevs_, WIN1RES_MEANS_DBFILE_, WIN1RES_STDEVS_DBFILE_, win3res_db_means_, win3res_db_stdevs_, WIN3RES_MEANS_DBFILE_, and WIN3RES_STDEVS_DBFILE_.

Referenced by DensityZscoresStatsSetup().

Member Data Documentation

◆ bfac_bins_start_end_

DensZscoreBfacBins core::scoring::DensityZscoresStatsSetup::bfac_bins_start_end_

private

Referenced by calc_weighted_zscore(), eval_zscore_by_resn_bfactor(), read_database_file(), and set_db_headers().

◆ header_delim_

std::string const core::scoring::DensityZscoresStatsSetup::header_delim_ = " to "

private

Referenced by set_db_headers().

◆ win1res_db_means_

DensZScoreMap core::scoring::DensityZscoresStatsSetup::win1res_db_means_

private

Referenced by eval_zscore_by_resn_bfactor(), and set_statistics_from_database().

◆ win1res_db_stdevs_

DensZScoreMap core::scoring::DensityZscoresStatsSetup::win1res_db_stdevs_

private

Referenced by eval_zscore_by_resn_bfactor(), and set_statistics_from_database().

◆ WIN1RES_MEANS_DBFILE_

std::string const core::scoring::DensityZscoresStatsSetup::WIN1RES_MEANS_DBFILE_ = "scoring/electron_density/smwin_resCC_mean.csv"

private

Referenced by set_statistics_from_database().

◆ WIN1RES_STDEVS_DBFILE_

std::string const core::scoring::DensityZscoresStatsSetup::WIN1RES_STDEVS_DBFILE_ = "scoring/electron_density/smwin_resCC_std.csv"

private

Referenced by set_statistics_from_database().

◆ win3res_db_means_

DensZScoreMap core::scoring::DensityZscoresStatsSetup::win3res_db_means_

private

Referenced by eval_zscore_by_resn_bfactor(), and set_statistics_from_database().

◆ win3res_db_stdevs_

DensZScoreMap core::scoring::DensityZscoresStatsSetup::win3res_db_stdevs_

private

Referenced by eval_zscore_by_resn_bfactor(), and set_statistics_from_database().

◆ WIN3RES_MEANS_DBFILE_

std::string const core::scoring::DensityZscoresStatsSetup::WIN3RES_MEANS_DBFILE_ = "scoring/electron_density/lgwin_resCC_mean.csv"

private

Referenced by set_statistics_from_database().

◆ WIN3RES_STDEVS_DBFILE_

std::string const core::scoring::DensityZscoresStatsSetup::WIN3RES_STDEVS_DBFILE_ = "scoring/electron_density/lgwin_resCC_std.csv"

private

Referenced by set_statistics_from_database().

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

src/core/scoring/DensityZscoresStatsSetup.hh
src/core/scoring/DensityZscoresStatsSetup.cc