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core::scoring::DC Class Reference

#include <DipolarCoupling.hh>

Public Types

enum  DC_TYPE { DC_TYPE_NH = 1, DC_TYPE_NC, DC_TYPE_CH, DC_TYPE_CC }
 

Public Member Functions

 DC ()
 
 DC (Size res1, std::string const &atom1, Size res2, std::string const &atom2, Real DCval, Real DCerr, Real weight)
 
DC_TYPE type () const
 
DC_TYPE get_DC_data_type (std::string const &atom1, std::string const &atom2)
 
Size res1 () const
 
Size res2 () const
 
std::string const & atom1 () const
 
std::string const & atom2 () const
 
Real DCval () const
 
Real DCerr () const
 
Real const & DCcomputed () const
 
RealDCcomputed ()
 
Vector f1ij () const
 
Vector f2ij () const
 
Real weight () const
 
void set_weight (Real w_in)
 
Real Dconst () const
 
void show (std::ostream &) const
 

Public Attributes

Real DCval_computed_
 
core::Vector f1ij_
 
core::Vector f2ij_
 

Private Attributes

DC_TYPE type_
 
Size res1_
 
Size res2_
 
std::string atom1_
 
std::string atom2_
 
Real DCval_
 
Real DCerr_
 
Real weight_
 

Friends

class DipolarCoupling
 

Member Enumeration Documentation

Enumerator
DC_TYPE_NH 
DC_TYPE_NC 
DC_TYPE_CH 
DC_TYPE_CC 

Constructor & Destructor Documentation

core::scoring::DC::DC ( )
inline
core::scoring::DC::DC ( Size  res1,
std::string const &  atom1,
Size  res2,
std::string const &  atom2,
Real  DCval,
Real  DCerr,
Real  weight 
)
inline

Member Function Documentation

std::string const& core::scoring::DC::atom1 ( ) const
inline

References atom1_.

std::string const& core::scoring::DC::atom2 ( ) const
inline

References atom2_.

Real const& core::scoring::DC::DCcomputed ( ) const
inline

References DCval_computed_.

Real& core::scoring::DC::DCcomputed ( )
inline

References DCval_computed_.

Real core::scoring::DC::DCerr ( ) const
inline

References DCerr_.

Real core::scoring::DC::Dconst ( ) const
inline
Real core::scoring::DC::DCval ( ) const
inline

References DCval_.

Vector core::scoring::DC::f1ij ( ) const
inline

References f1ij_.

Vector core::scoring::DC::f2ij ( ) const
inline

References f2ij_.

DC::DC_TYPE core::scoring::DC::get_DC_data_type ( std::string const &  atom1,
std::string const &  atom2 
)
Size core::scoring::DC::res1 ( ) const
inline

References res1_.

Size core::scoring::DC::res2 ( ) const
inline

References res2_.

void core::scoring::DC::set_weight ( Real  w_in)
inline

References weight_.

void core::scoring::DC::show ( std::ostream &  out) const

References DCval_, and res1_.

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

DC_TYPE core::scoring::DC::type ( ) const
inline

References type_.

Referenced by Dconst().

Real core::scoring::DC::weight ( ) const
inline

References weight_.

Friends And Related Function Documentation

friend class DipolarCoupling
friend

Member Data Documentation

std::string core::scoring::DC::atom1_
private

Referenced by atom1().

std::string core::scoring::DC::atom2_
private

Referenced by atom2().

Real core::scoring::DC::DCerr_
private

Referenced by DCerr().

Real core::scoring::DC::DCval_
private

Referenced by DCval(), and show().

Real core::scoring::DC::DCval_computed_

Referenced by DCcomputed().

core::Vector core::scoring::DC::f1ij_
core::Vector core::scoring::DC::f2ij_
Size core::scoring::DC::res1_
private

Referenced by res1(), and show().

Size core::scoring::DC::res2_
private

Referenced by res2().

DC_TYPE core::scoring::DC::type_
private

Referenced by type().

Real core::scoring::DC::weight_
private

Referenced by set_weight(), and weight().


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