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Public Member Functions | Public Attributes | Private Attributes | List of all members
core::scoring::saxs::FormFactor Class Reference

#include <FormFactor.hh>

Inheritance diagram for core::scoring::saxs::FormFactor:
Inheritance graph
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Public Member Functions

 ~FormFactor () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 FormFactor (std::string const &, std::string const &)
 Constructor reads a file with a spline function. More...
 
Real ff (Real q) const
 evaluates an atomic form factor for a given scattering angle (defined in 1/A) More...
 
Real get (Size q_index)
 Returns tabulated ff-value (computed for i-th value of q-argument) More...
 
std::string & name ()
 
void is_glob (bool flag)
 
bool is_glob () const
 
void tabulate (const utility::vector1< Real > &q)
 

Public Attributes

Size id_
 @ A unique identifier of a form factor object, set by the manager More...
 

Private Attributes

bool glob_flag_
 
utility::pointer::shared_ptr
< numeric::interpolation::spline::Interpolator > 
spline_interpolator_
 
std::string name_
 
utility::vector1< Realff_values_
 

Constructor & Destructor Documentation

core::scoring::saxs::FormFactor::~FormFactor ( )
overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

core::scoring::saxs::FormFactor::FormFactor ( std::string const &  atom_name,
std::string const &  file_name 
)

Constructor reads a file with a spline function.

References name_, spline_interpolator_, and core::scoring::saxs::trFormFactor().

Member Function Documentation

Real core::scoring::saxs::FormFactor::ff ( Real  q) const
inline

evaluates an atomic form factor for a given scattering angle (defined in 1/A)

References spline_interpolator_.

Referenced by tabulate().

Real core::scoring::saxs::FormFactor::get ( Size  q_index)
inline

Returns tabulated ff-value (computed for i-th value of q-argument)

References ff_values_.

void core::scoring::saxs::FormFactor::is_glob ( bool  flag)
inline

References glob_flag_.

bool core::scoring::saxs::FormFactor::is_glob ( ) const
inline

References glob_flag_.

std::string& core::scoring::saxs::FormFactor::name ( )
inline

References name_.

void core::scoring::saxs::FormFactor::tabulate ( const utility::vector1< Real > &  q)

References ff(), and ff_values_.

Member Data Documentation

utility::vector1<Real> core::scoring::saxs::FormFactor::ff_values_
mutableprivate

Referenced by get(), and tabulate().

bool core::scoring::saxs::FormFactor::glob_flag_
private

Referenced by is_glob().

Size core::scoring::saxs::FormFactor::id_

@ A unique identifier of a form factor object, set by the manager

std::string core::scoring::saxs::FormFactor::name_
private

Referenced by FormFactor(), and name().

utility::pointer::shared_ptr< numeric::interpolation::spline::Interpolator > core::scoring::saxs::FormFactor::spline_interpolator_
private

Referenced by ff(), and FormFactor().


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