myspace::DataClass Class Reference

Public Member Functions
	DataClass (bool const by_aa, bool const score_full)
	~DataClass ()
void	scan_Evalue (pose::Pose &pose, scoring::ScoreFunctionOP sfxn, Size const resno, std::string const tag, std::string const mode)
void	scan_Evalue_and_write (pose::Pose &pose, scoring::ScoreFunctionOP sfxn, Size const resno, std::string const trg, std::string const aa1, std::string const aa2)
void	report_by_aa (std::string const mode)
void	open_trgfile (std::string const filename)
void	set_dumppdb (bool dump_pdb, std::string aa_dump)
void	close_trgfile ()
bool	by_aa ()

Private Member Functions
utility::vector1< Real >	Emap_to_Evector (scoring::EnergyMap const emap)

Private Attributes
Size	Ncomp_
bool	by_aa_
bool	score_full_
bool	dump_pdb_
std::string	aa2_dump_
utility::vector1< core::scoring::ScoreType >	compname_
std::ofstream	trgfile
DatastoreType	data_self_
DatastoreType	data_far_

Constructor & Destructor Documentation

DataClass()

myspace::DataClass::DataClass ( bool const  by_aa, bool const  score_full  )

inline

References basic::options::OptionKeys::corrections::score::p_aa_pp, and basic::options::OptionKeys::remodel::rama.

~DataClass()

myspace::DataClass::~DataClass ( )

inline

Member Function Documentation

by_aa()

bool myspace::DataClass::by_aa ( )

inline

close_trgfile()

void myspace::DataClass::close_trgfile ( )

inline

Emap_to_Evector()

utility::vector1< Real > myspace::DataClass::Emap_to_Evector ( scoring::EnergyMap const  emap )

inlineprivate

References test.T200_Scoring::emap, and create_a3b_hbs::i.

open_trgfile()

void myspace::DataClass::open_trgfile ( std::string const  filename )

inline

References lactamize::filename.

report_by_aa()

void myspace::DataClass::report_by_aa

(

std::string const

mode

)

References aa, utility::io::oc::cout, data, lactamize::filename, create_a3b_hbs::i, subloop_histogram::iterator, and SmotifHasher::mode.

scan_Evalue()

void myspace::DataClass::scan_Evalue	(	pose::Pose &	pose,
		scoring::ScoreFunctionOP	sfxn,
		Size const	resno,
		std::string const	tag,
		std::string const	mode
	)

References myspace::DatumStruct::Emap, test.T200_Scoring::emap, myspace::DatumStruct::Esum, SmotifHasher::mode, beta_nonlocal::pose, test.T120_core::sfxn, myspace::DatumStruct::tag, and tag.

scan_Evalue_and_write()

void myspace::DataClass::scan_Evalue_and_write	(	pose::Pose &	pose,
		scoring::ScoreFunctionOP	sfxn,
		Size const	resno,
		std::string const	trg,
		std::string const	aa1,
		std::string const	aa2
	)

References basic::options::OptionKeys::mh::match::aa1, basic::options::OptionKeys::mh::match::aa2, myspace::DatumStruct::Emap, test.T200_Scoring::emap, myspace::DatumStruct::Esum, beta_nonlocal::pose, test.T120_core::sfxn, and tag.

set_dumppdb()

void myspace::DataClass::set_dumppdb	(	bool	dump_pdb,
		std::string	aa_dump
	)

References basic::options::OptionKeys::matdes::dock::dump_pdb.

Member Data Documentation

aa2_dump_

std::string myspace::DataClass::aa2_dump_

private

by_aa_

bool myspace::DataClass::by_aa_

private

compname_

utility::vector1< core::scoring::ScoreType > myspace::DataClass::compname_

private

data_far_

DatastoreType myspace::DataClass::data_far_

private

data_self_

DatastoreType myspace::DataClass::data_self_

private

dump_pdb_

bool myspace::DataClass::dump_pdb_

private

Ncomp_

Size myspace::DataClass::Ncomp_

private

score_full_

bool myspace::DataClass::score_full_

private

trgfile

std::ofstream myspace::DataClass::trgfile

private

---

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

• src/apps/pilot/hpark/rescore_mutscan.cc