core::scoring::saxs::FormFactor Class Reference

#include <FormFactor.hh>

Public Member Functions
virtual	~FormFactor ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	FormFactor (std::string, std::string)
	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::owning_ptr < numeric::interpolation::spline::Interpolator >	spline_interpolator_
std::string	name_
utility::vector1< Real >	ff_values_

Constructor & Destructor Documentation

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

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

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

Constructor reads a file with a spline function.

References numeric::interpolation::spline::SplineGenerator::add_known_value(), gen, numeric::interpolation::spline::SplineGenerator::get_interpolator(), getline(), 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 numeric::interpolation::spline::Interpolator::interpolate(), and 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::owning_ptr< numeric::interpolation::spline::Interpolator > core::scoring::saxs::FormFactor::spline_interpolator_

private

Referenced by ff(), and FormFactor().

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

• symlinks/rosetta/src/core/scoring/saxs/FormFactor.hh
• symlinks/rosetta/src/core/scoring/saxs/FormFactor.cc