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core::scoring::DipolarCoupling Class Reference

DipolarCouplings are mainly handled by this class related classed: DC — a single line in an DC file - representing a single dc coupling DipolarCouplingEnergy – an energy method which triggers computations handled by this class. More...

#include <DipolarCoupling.hh>

Inheritance diagram for core::scoring::DipolarCoupling:
Inheritance graph
[legend]

Public Types

typedef core::Size Size
 
typedef utility::vector1
< core::scoring::DC
DC_lines
 

Public Member Functions

 DipolarCoupling (std::string const &filename="")
 standard c'stor – will access option -in:file:dc to read DC data More...
 
 DipolarCoupling (DipolarCoupling const &other)
 
DipolarCouplingoperator= (DipolarCoupling const &other)
 
 ~DipolarCoupling () override=default
 
basic::datacache::CacheableDataOP clone () const override
 
core::Real compute_dcscore (core::pose::Pose &pose)
 compute dc score for given pose (non-constant due to membrane) More...
 
void show (std::ostream &) const
 
DC_lines const & get_DC_data () const
 get the raw DC data More...
 

Private Member Functions

void read_DC_file (std::string const &filename)
 read DC data from file More...
 
void read_DC_file ()
 

Private Attributes

DC_lines All_DC_lines_
 some internal buffers in More...
 

Detailed Description

DipolarCouplings are mainly handled by this class related classed: DC — a single line in an DC file - representing a single dc coupling DipolarCouplingEnergy – an energy method which triggers computations handled by this class.

Member Typedef Documentation

Constructor & Destructor Documentation

core::scoring::DipolarCoupling::DipolarCoupling ( std::string const &  filename = "")
inline

standard c'stor – will access option -in:file:dc to read DC data

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

core::scoring::DipolarCoupling::DipolarCoupling ( DipolarCoupling const &  other)

References All_DC_lines_.

core::scoring::DipolarCoupling::~DipolarCoupling ( )
overridedefault

Member Function Documentation

basic::datacache::CacheableDataOP core::scoring::DipolarCoupling::clone ( ) const
inlineoverride
Real core::scoring::DipolarCoupling::compute_dcscore ( core::pose::Pose pose)
DC_lines const& core::scoring::DipolarCoupling::get_DC_data ( ) const
inline
DipolarCoupling & core::scoring::DipolarCoupling::operator= ( DipolarCoupling const &  other)

References All_DC_lines_.

void core::scoring::DipolarCoupling::read_DC_file ( std::string const &  filename)
private

read DC data from file

References All_DC_lines_, and core::scoring::tr().

void core::scoring::DipolarCoupling::read_DC_file ( )
private
void core::scoring::DipolarCoupling::show ( std::ostream &  out) const

References All_DC_lines_.

Referenced by core::scoring::operator<<().

Member Data Documentation

DC_lines core::scoring::DipolarCoupling::All_DC_lines_
private

some internal buffers in

Referenced by compute_dcscore(), DipolarCoupling(), get_DC_data(), operator=(), read_DC_file(), and show().


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