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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...
 
RDCSingleSetoperator= (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< RDCSinglerdc_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

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 init_from_rdc_filedata().

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

copy constructor

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

destructor

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

default constructor

Member Function Documentation

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

References dataset_name_.

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

References number_rdc_.

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

References rdc_type_.

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

References rdc_single_vec_.

SINGLE_NMR_VALUE_WEIGHTING core::scoring::nmr::rdc::RDCSingleSet::get_single_rdc_weighting_scheme ( ) const
inline
Real core::scoring::nmr::rdc::RDCSingleSet::get_weight ( ) const
inline

References weight_.

void core::scoring::nmr::rdc::RDCSingleSet::init_from_rdc_filedata ( std::string const &  filename,
pose::Pose const &  pose 
)
private
RDCSingleSet & core::scoring::nmr::rdc::RDCSingleSet::operator= ( RDCSingleSet const &  rhs)
void core::scoring::nmr::rdc::RDCSingleSet::set_single_rdc_weighting_scheme ( std::string const &  weighting_scheme)
void core::scoring::nmr::rdc::RDCSingleSet::set_weight ( Real  weight)
inline

References weight_.

void core::scoring::nmr::rdc::RDCSingleSet::show ( std::ostream &  TR) const

Friends And Related Function Documentation

friend class RDCMultiSet
friend

Member Data Documentation

std::string core::scoring::nmr::rdc::RDCSingleSet::dataset_name_
private
Size core::scoring::nmr::rdc::RDCSingleSet::number_rdc_
private
utility::vector1<RDCSingle> core::scoring::nmr::rdc::RDCSingleSet::rdc_single_vec_
private
RDC_TYPE core::scoring::nmr::rdc::RDCSingleSet::rdc_type_
private
SINGLE_NMR_VALUE_WEIGHTING core::scoring::nmr::rdc::RDCSingleSet::single_rdc_weighting_scheme_
private
Real core::scoring::nmr::rdc::RDCSingleSet::weight_
private

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