Rosetta 3.4
Public Types | Public Member Functions | Public Attributes | Friends
core::scoring::RDC Class Reference

#include <ResidualDipolarCoupling.hh>

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List of all members.

Public Types

enum  RDC_TYPE { RDC_TYPE_NH = 1, RDC_TYPE_NC, RDC_TYPE_CH, RDC_TYPE_CC }

Public Member Functions

 RDC ()
 RDC (Size res1, std::string const &atom1, Size res2, std::string const &atom2, Real Jdipolar, Real weight=1.0, Size expid=1)
RDC_TYPE type () const
RDC_TYPE get_RDC_data_type (std::string const &atom1, std::string const &atom2)
 which type of RDC pairing are we dealing with ?
Size expid () const
Size res1 () const
Size res2 () const
Real Jdipolar () const
Real const & Jcomputed () const
RealJcomputed ()
Vector fij () const
Real fixed_dist () const
Real Reduced_Jdipolar () const
Real weight () const
void weight (Real w_in)
Real Dconst () const
std::string const & atom1 () const
std::string const & atom2 () const
void show (std::ostream &) const

Public Attributes

Real Jdipolar_computed_
core::Vector fij_

Friends

class ResidualDipolarCoupling

Member Enumeration Documentation

Enumerator:
RDC_TYPE_NH 
RDC_TYPE_NC 
RDC_TYPE_CH 
RDC_TYPE_CC 

Constructor & Destructor Documentation

core::scoring::RDC::RDC ( ) [inline]
core::scoring::RDC::RDC ( Size  res1,
std::string const &  atom1,
Size  res2,
std::string const &  atom2,
Real  Jdipolar,
Real  weight = 1.0,
Size  expid = 1 
) [inline]

Member Function Documentation

std::string const& core::scoring::RDC::atom1 ( ) const [inline]
std::string const& core::scoring::RDC::atom2 ( ) const [inline]
Real core::scoring::RDC::Dconst ( ) const [inline]
Size core::scoring::RDC::expid ( ) const [inline]
Vector core::scoring::RDC::fij ( ) const [inline]

References fij_.

Real core::scoring::RDC::fixed_dist ( ) const [inline]
RDC::RDC_TYPE core::scoring::RDC::get_RDC_data_type ( std::string const &  atom1,
std::string const &  atom2 
)

which type of RDC pairing are we dealing with ?

References core::scoring::element_string().

Real& core::scoring::RDC::Jcomputed ( ) [inline]

References Jdipolar_computed_.

Real const& core::scoring::RDC::Jcomputed ( ) const [inline]

References Jdipolar_computed_.

Real core::scoring::RDC::Jdipolar ( ) const [inline]
Real core::scoring::RDC::Reduced_Jdipolar ( ) const [inline]

References Dconst(), and fixed_dist().

Size core::scoring::RDC::res1 ( ) const [inline]
Size core::scoring::RDC::res2 ( ) const [inline]
void core::scoring::RDC::show ( std::ostream &  out) const
RDC_TYPE core::scoring::RDC::type ( ) const [inline]

Referenced by Dconst(), and fixed_dist().

void core::scoring::RDC::weight ( Real  w_in) [inline]
Real core::scoring::RDC::weight ( ) const [inline]

Friends And Related Function Documentation

friend class ResidualDipolarCoupling [friend]

Member Data Documentation

Referenced by Jcomputed().


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