core::scoring::nmr::rdc::RDCSingleSet Class Reference

#include <RDCSingleSet.hh>

Public Member Functions
	RDCSingleSet (std::string const &filename, pose::Pose const &pose)
	construct from experiment file set default values for RDCSingleSet weight and single_rdc_weighting_scheme More...
	RDCSingleSet (std::string const &filename, pose::Pose const &pose, Real const weight, std::string single_rdc_weigting="CONST")
	constructor with full argument list More...
	RDCSingleSet (RDCSingleSet const &other)
	copy constructor More...
RDCSingleSet &	operator= (RDCSingleSet const &rhs)
	assignment operator More...
	~RDCSingleSet ()
	destructor More...
Real	get_weight () const
Size	get_number_rdc () const
std::string	get_dataset_name () const
utility::vector1< RDCSingle > const &	get_single_rdc_vec () const
SINGLE_NMR_VALUE_WEIGHTING	get_single_rdc_weighting_scheme () const
RDC_TYPE	get_rdc_type () const
void	set_weight (Real weight)
void	set_single_rdc_weighting_scheme (std::string const &weighting_scheme)
void	show (std::ostream &TR) const

Private Member Functions
	RDCSingleSet ()
	default constructor More...
void	init_from_rdc_filedata (std::string const &filename, pose::Pose const &pose)
	utility function used in constructor to initialize RDCSingelSet object from data file. More...

Private Attributes
std::string	dataset_name_
utility::vector1< RDCSingle >	rdc_single_vec_
Real	weight_
Size	number_rdc_
SINGLE_NMR_VALUE_WEIGHTING	single_rdc_weighting_scheme_
RDC_TYPE	rdc_type_

Friends
class	RDCMultiSet

Constructor & Destructor Documentation

RDCSingleSet() [1/4]

core::scoring::nmr::rdc::RDCSingleSet::RDCSingleSet	(	std::string const &	filename,
		pose::Pose const &	pose
	)

construct from experiment file set default values for RDCSingleSet weight and single_rdc_weighting_scheme

construct from filedata set default values for RDCSingleSet weight and single_rdc_weighting_scheme

References protocols::abinitio::filename(), and init_from_rdc_filedata().

RDCSingleSet() [2/4]

core::scoring::nmr::rdc::RDCSingleSet::RDCSingleSet	(	std::string const &	filename,
		pose::Pose const &	pose,
		Real const	weight,
		std::string	single_rdc_weigting = "CONST"
	)

constructor with full argument list

References core::scoring::nmr::convert_string_to_weighting_scheme(), protocols::abinitio::filename(), init_from_rdc_filedata(), and single_rdc_weighting_scheme_.

RDCSingleSet() [3/4]

core::scoring::nmr::rdc::RDCSingleSet::RDCSingleSet

(

RDCSingleSet const &

other

)

copy constructor

~RDCSingleSet()

core::scoring::nmr::rdc::RDCSingleSet::~RDCSingleSet

(

)

destructor

RDCSingleSet() [4/4]

core::scoring::nmr::rdc::RDCSingleSet::RDCSingleSet ( )

private

default constructor

Member Function Documentation

get_dataset_name()

std::string core::scoring::nmr::rdc::RDCSingleSet::get_dataset_name ( ) const

inline

References dataset_name_.

get_number_rdc()

Size core::scoring::nmr::rdc::RDCSingleSet::get_number_rdc ( ) const

inline

References number_rdc_.

get_rdc_type()

RDC_TYPE core::scoring::nmr::rdc::RDCSingleSet::get_rdc_type ( ) const

inline

References rdc_type_.

get_single_rdc_vec()

utility::vector1<RDCSingle> const& core::scoring::nmr::rdc::RDCSingleSet::get_single_rdc_vec ( ) const

inline

References rdc_single_vec_.

get_single_rdc_weighting_scheme()

SINGLE_NMR_VALUE_WEIGHTING core::scoring::nmr::rdc::RDCSingleSet::get_single_rdc_weighting_scheme ( ) const

inline

References single_rdc_weighting_scheme_.

get_weight()

Real core::scoring::nmr::rdc::RDCSingleSet::get_weight ( ) const

inline

References weight_.

init_from_rdc_filedata()

void core::scoring::nmr::rdc::RDCSingleSet::init_from_rdc_filedata ( std::string const &  filename, pose::Pose const &  pose  )

private

utility function used in constructor to initialize RDCSingelSet object from data file.

References dataset_name_, protocols::abinitio::filename(), core::scoring::nmr::rdc::RDCSingle::get_rdc_type(), core::scoring::nmr::rdc::RDCSingle::get_spinsAB(), core::conformation::symmetry::is_symmetric(), core::pose::symmetry::is_symmetric(), number_rdc_, rdc_single_vec_, rdc_type_, core::io::nmr::read_rdc_datafile(), core::pose::symmetry::symmetry_info(), and core::scoring::nmr::rdc::TR().

Referenced by RDCSingleSet().

operator=()

RDCSingleSet & core::scoring::nmr::rdc::RDCSingleSet::operator=

(

RDCSingleSet const &

rhs

)

assignment operator

References dataset_name_, number_rdc_, rdc_single_vec_, rdc_type_, single_rdc_weighting_scheme_, and weight_.

set_single_rdc_weighting_scheme()

void core::scoring::nmr::rdc::RDCSingleSet::set_single_rdc_weighting_scheme

(

std::string const &

weighting_scheme

)

References core::scoring::nmr::convert_string_to_weighting_scheme(), and single_rdc_weighting_scheme_.

set_weight()

void core::scoring::nmr::rdc::RDCSingleSet::set_weight ( Real  weight )

inline

References weight_.

show()

void core::scoring::nmr::rdc::RDCSingleSet::show

(

std::ostream &

TR

)

const

References dataset_name_, number_rdc_, rdc_single_vec_, protocols::frag_picker::tracer(), and weight_.

Friends And Related Function Documentation

RDCMultiSet

friend class RDCMultiSet

friend

Member Data Documentation

dataset_name_

std::string core::scoring::nmr::rdc::RDCSingleSet::dataset_name_

private

Referenced by get_dataset_name(), init_from_rdc_filedata(), operator=(), and show().

number_rdc_

Size core::scoring::nmr::rdc::RDCSingleSet::number_rdc_

private

Referenced by get_number_rdc(), init_from_rdc_filedata(), operator=(), and show().

rdc_single_vec_

utility::vector1<RDCSingle> core::scoring::nmr::rdc::RDCSingleSet::rdc_single_vec_

private

Referenced by get_single_rdc_vec(), init_from_rdc_filedata(), operator=(), and show().

rdc_type_

RDC_TYPE core::scoring::nmr::rdc::RDCSingleSet::rdc_type_

private

Referenced by get_rdc_type(), init_from_rdc_filedata(), and operator=().

single_rdc_weighting_scheme_

SINGLE_NMR_VALUE_WEIGHTING core::scoring::nmr::rdc::RDCSingleSet::single_rdc_weighting_scheme_

private

Referenced by get_single_rdc_weighting_scheme(), operator=(), RDCSingleSet(), and set_single_rdc_weighting_scheme().

weight_

Real core::scoring::nmr::rdc::RDCSingleSet::weight_

private

Referenced by get_weight(), operator=(), set_weight(), and show().

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

• src/core/scoring/nmr/rdc/RDCSingleSet.hh
• src/core/scoring/nmr/rdc/RDCSingleSet.cc