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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::nmr::rdc::RDCData Class Reference

#include <RDCData.hh>

Inheritance diagram for core::scoring::nmr::rdc::RDCData:
Inheritance graph
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Public Member Functions

 RDCData (std::string const &filename, pose::Pose const &pose)
 construct from filename More...
 
 RDCData (RDCData const &other)
 copy constructor More...
 
RDCDataoperator= (RDCData const &rhs)
 assignment operator More...
 
 ~RDCData () override
 destructor More...
 
basic::datacache::CacheableDataOP clone () const override
 
Real compute_score_all_media (pose::Pose const &pose, utility::vector1< Real > &scores_all_media, utility::vector1< RDCTensorCOP > &tensors_all_media)
 compute the overall RDC score and scores for the individual alignment media More...
 
utility::vector1< RDCMultiSetOP > & get_rdc_multiset_vec ()
 
utility::vector1
< RDCMultiSetOP > const & 
get_rdc_multiset_vec () const
 
Size get_number_alignment_media () const
 
Size get_total_number_rdc () const
 
void show (std::ostream &TR) const
 

Private Member Functions

 RDCData ()
 default constructor More...
 
void register_options ()
 register options More...
 
void init_rdc_data_from_file (std::string const &filename, pose::Pose const &pose)
 utility function used during construction of RDCData object More...
 

Private Attributes

utility::vector1< RDCMultiSetOPrdc_multiset_vec_
 
Size number_alignment_media_
 

Constructor & Destructor Documentation

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

construct from filename

constructor with filename

References init_rdc_data_from_file(), and register_options().

core::scoring::nmr::rdc::RDCData::RDCData ( RDCData const &  other)

copy constructor

References rdc_multiset_vec_.

core::scoring::nmr::rdc::RDCData::~RDCData ( )
override

destructor

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

default constructor

Referenced by clone().

Member Function Documentation

basic::datacache::CacheableDataOP core::scoring::nmr::rdc::RDCData::clone ( ) const
override

References RDCData().

Real core::scoring::nmr::rdc::RDCData::compute_score_all_media ( pose::Pose const &  pose,
utility::vector1< Real > &  scores_all_media,
utility::vector1< RDCTensorCOP > &  tensors_all_media 
)

compute the overall RDC score and scores for the individual alignment media

References number_alignment_media_, rdc_multiset_vec_, core::scoring::nmr::rdc::RDCMultiSet::SVD, and core::scoring::total_score.

Size core::scoring::nmr::rdc::RDCData::get_number_alignment_media ( ) const
inline
utility::vector1< RDCMultiSetOP >& core::scoring::nmr::rdc::RDCData::get_rdc_multiset_vec ( )
inline
utility::vector1< RDCMultiSetOP > const& core::scoring::nmr::rdc::RDCData::get_rdc_multiset_vec ( ) const
inline

References rdc_multiset_vec_.

Size core::scoring::nmr::rdc::RDCData::get_total_number_rdc ( ) const
void core::scoring::nmr::rdc::RDCData::init_rdc_data_from_file ( std::string const &  filename,
pose::Pose const &  pose 
)
private
RDCData & core::scoring::nmr::rdc::RDCData::operator= ( RDCData const &  rhs)

assignment operator

References number_alignment_media_, and rdc_multiset_vec_.

void core::scoring::nmr::rdc::RDCData::register_options ( )
private

register options

Referenced by RDCData().

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

Member Data Documentation

Size core::scoring::nmr::rdc::RDCData::number_alignment_media_
private
utility::vector1< RDCMultiSetOP > core::scoring::nmr::rdc::RDCData::rdc_multiset_vec_
private

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