Rosetta  2020.46
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
core::scoring::fiber_diffraction::FiberDiffraction Class Reference

#include <FiberDiffraction.hh>

Inheritance diagram for core::scoring::fiber_diffraction::FiberDiffraction:
Inheritance graph
[legend]

Public Member Functions

 FiberDiffraction ()
 constructor More...
 
 ~FiberDiffraction () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
void init ()
 Initialize map from cmd line options. More...
 
bool loadFiberDiffractionData (std::string layer_lines, core::Real const &c, core::Real const &res_cutoff_high, core::Real const &res_cutoff_low)
 Load fiber diffraction layer lines. More...
 
bool loadFiberDiffractionData (std::istream &input, std::string layer_lines, core::Real const &c, core::Real const &res_cutoff_high, core::Real const &res_cutoff_low)
 
bool trimFiberDiffractionData (core::Real const &c, core::Real const &res_cutoff_high, core::Real const &res_cutoff_low)
 Load fiber diffraction layer lines. More...
 
bool setupBesselOrder ()
 
bool isFiberDataLoaded () const
 
void getAllFiberData (utility::vector0< utility::vector1< core::Real > >::iterator &layer_lines_I_it, utility::vector0< utility::vector1< core::Real > >::iterator &layer_lines_R_it, utility::vector0< utility::vector0< int > >::iterator &nvals_it, core::Size &lmax_, core::Size &Rmax_)
 
void getIntensities (utility::vector0< utility::vector1< core::Real > >::iterator &layer_lines_I_it)
 
void getReciprocalRs (utility::vector0< utility::vector1< core::Real > >::iterator &layer_lines_R_it)
 
void getNVals (utility::vector0< utility::vector0< int > >::iterator &nvals_it)
 

Private Attributes

bool isLoaded
 
core::Real c_
 
core::Real res_cutoff_high_
 
core::Real res_cutoff_low_
 
core::Size lmax
 
core::Size Rmax
 
utility::vector0
< utility::vector1< core::Real > > 
original_layer_lines_I
 
utility::vector0
< utility::vector1< core::Real > > 
original_layer_lines_R
 
utility::vector0
< utility::vector1< core::Real > > 
layer_lines_I
 
utility::vector0
< utility::vector1< core::Real > > 
layer_lines_R
 
utility::vector0
< utility::vector0< int > > 
nvals
 

Constructor & Destructor Documentation

core::scoring::fiber_diffraction::FiberDiffraction::FiberDiffraction ( )

constructor

null constructor

References core::init::init().

core::scoring::fiber_diffraction::FiberDiffraction::~FiberDiffraction ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Member Function Documentation

void core::scoring::fiber_diffraction::FiberDiffraction::getAllFiberData ( utility::vector0< utility::vector1< core::Real > >::iterator &  layer_lines_I_it,
utility::vector0< utility::vector1< core::Real > >::iterator &  layer_lines_R_it,
utility::vector0< utility::vector0< int > >::iterator &  nvals_it,
core::Size lmax_,
core::Size Rmax_ 
)
inline
void core::scoring::fiber_diffraction::FiberDiffraction::getIntensities ( utility::vector0< utility::vector1< core::Real > >::iterator &  layer_lines_I_it)
inline

References layer_lines_I.

void core::scoring::fiber_diffraction::FiberDiffraction::getNVals ( utility::vector0< utility::vector0< int > >::iterator &  nvals_it)
inline

References nvals.

void core::scoring::fiber_diffraction::FiberDiffraction::getReciprocalRs ( utility::vector0< utility::vector1< core::Real > >::iterator &  layer_lines_R_it)
inline

References layer_lines_R.

void core::scoring::fiber_diffraction::FiberDiffraction::init ( void  )

Initialize map from cmd line options.

bool core::scoring::fiber_diffraction::FiberDiffraction::isFiberDataLoaded ( ) const
inline
bool core::scoring::fiber_diffraction::FiberDiffraction::loadFiberDiffractionData ( std::string  layer_lines,
core::Real const &  c,
core::Real const &  res_cutoff_high,
core::Real const &  res_cutoff_low 
)

Load fiber diffraction layer lines.

Referenced by core::scoring::fiber_diffraction::getFiberDiffractionData_legacy().

bool core::scoring::fiber_diffraction::FiberDiffraction::loadFiberDiffractionData ( std::istream &  input,
std::string  layer_lines,
core::Real const &  c,
core::Real const &  res_cutoff_high,
core::Real const &  res_cutoff_low 
)
bool core::scoring::fiber_diffraction::FiberDiffraction::setupBesselOrder ( )
bool core::scoring::fiber_diffraction::FiberDiffraction::trimFiberDiffractionData ( core::Real const &  c,
core::Real const &  res_cutoff_high,
core::Real const &  res_cutoff_low 
)

Load fiber diffraction layer lines.

References core::scoring::fiber_diffraction::TR().

Member Data Documentation

core::Real core::scoring::fiber_diffraction::FiberDiffraction::c_
private
bool core::scoring::fiber_diffraction::FiberDiffraction::isLoaded
private

Referenced by isFiberDataLoaded().

utility::vector0< utility::vector1< core::Real > > core::scoring::fiber_diffraction::FiberDiffraction::layer_lines_I
private

Referenced by getAllFiberData(), and getIntensities().

utility::vector0< utility::vector1< core::Real > > core::scoring::fiber_diffraction::FiberDiffraction::layer_lines_R
private

Referenced by getAllFiberData(), and getReciprocalRs().

core::Size core::scoring::fiber_diffraction::FiberDiffraction::lmax
private

Referenced by getAllFiberData().

utility::vector0< utility::vector0 < int > > core::scoring::fiber_diffraction::FiberDiffraction::nvals
private

Referenced by getAllFiberData(), and getNVals().

utility::vector0< utility::vector1< core::Real > > core::scoring::fiber_diffraction::FiberDiffraction::original_layer_lines_I
private
utility::vector0< utility::vector1< core::Real > > core::scoring::fiber_diffraction::FiberDiffraction::original_layer_lines_R
private
core::Real core::scoring::fiber_diffraction::FiberDiffraction::res_cutoff_high_
private
core::Real core::scoring::fiber_diffraction::FiberDiffraction::res_cutoff_low_
private
core::Size core::scoring::fiber_diffraction::FiberDiffraction::Rmax
private

Referenced by getAllFiberData().


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