Rosetta Core  2014.35
Public Types | Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::ChemicalShiftAnisotropy Class Reference

ChemicalShiftAnisotropys are mainly handled by this class. More...

#include <ChemicalShiftAnisotropy.hh>

Public Types

typedef core::Size Size
typedef utility::vector1
< core::scoring::CSA

Public Member Functions

 ChemicalShiftAnisotropy (std::string const &filename="")
 standard c'stor – will access option -in:file:csa to read CSA data More...
 ChemicalShiftAnisotropy (ChemicalShiftAnisotropy const &other)
ChemicalShiftAnisotropyoperator= (ChemicalShiftAnisotropy const &other)
 ~ChemicalShiftAnisotropy ()
basic::datacache::CacheableDataOP clone () const
core::Real compute_csascore (core::pose::Pose &pose)
 compute csa score for given pose (non-constant due to membrane) More...
void show (std::ostream &) const
CSA_lines const & get_CSA_data () const
 get the raw CSA data More...
- Public Member Functions inherited from basic::datacache::CacheableData
virtual ~CacheableData ()

Private Member Functions

void read_CSA_file (std::string const &filename)
 read CSA data from file More...
void read_CSA_file ()

Private Attributes

CSA_lines All_CSA_lines_
 some internal buffers in More...

Detailed Description

ChemicalShiftAnisotropys are mainly handled by this class.

related classed: CSA — a single line in an CSA file - representing a single csa coupling ChemicalShiftAnisotropyEnergy – an energy method which triggers computations handled by this class.

Member Typedef Documentation

Constructor & Destructor Documentation

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

standard c'stor – will access option -in:file:csa to read CSA data

References filename(), and read_CSA_file().

Referenced by clone().

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

References All_CSA_lines_.

core::scoring::ChemicalShiftAnisotropy::~ChemicalShiftAnisotropy ( )

Member Function Documentation

basic::datacache::CacheableDataOP core::scoring::ChemicalShiftAnisotropy::clone ( ) const
Real core::scoring::ChemicalShiftAnisotropy::compute_csascore ( core::pose::Pose pose)
CSA_lines const& core::scoring::ChemicalShiftAnisotropy::get_CSA_data ( ) const
ChemicalShiftAnisotropy & core::scoring::ChemicalShiftAnisotropy::operator= ( ChemicalShiftAnisotropy const &  other)

References All_CSA_lines_.

void core::scoring::ChemicalShiftAnisotropy::read_CSA_file ( std::string const &  filename)

read CSA data from file

References All_CSA_lines_, getline(), core::scoring::tr, and weight.

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

References All_CSA_lines_.

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

Member Data Documentation

CSA_lines core::scoring::ChemicalShiftAnisotropy::All_CSA_lines_

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