IMP::saxs::FormFactorTable Class Reference

#include <IMP/saxs/FormFactorTable.h>

Public Member Functions
	FormFactorTable ()
	default constructor
	FormFactorTable (const String &table_name, Float min_q, Float max_q, Float delta_q)
	constructor with form factor table file (required for full form factors)
Float	get_dummy_form_factor (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	f(0) for solvent
const Floats &	get_dummy_form_factors (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	for reciprocal space profile calculation
Float	get_dummy_water_form_factor () const
	f(0) for water (solvent)
Float	get_form_factor (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	get f(0), ie q=0 for real space profile calculation
const Floats &	get_form_factors (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	full form factor for reciprocal space profile calculation
Float	get_radius (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	radius
Float	get_vacuum_form_factor (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	f(0) in vacuum
const Floats &	get_vacuum_form_factors (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	for reciprocal space profile calculation
Float	get_vacuum_water_form_factor () const
	f(0) for water in vacuum
Float	get_volume (kernel::Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const
	volume
const Floats &	get_water_dummy_form_factors () const
	full water dummy form factor
Float	get_water_form_factor () const
	f(0) for water
const Floats &	get_water_form_factors () const
	full water form factor
const Floats &	get_water_vacuum_form_factors () const
	full water vacuum form factor
void	show (std::ostream &out=std::cout, std::string prefix="") const
	print tables

Static Public Attributes
static Float	rho_

Friends
std::ostream &	operator<< (std::ostream &s, const AtomFactorCoefficients &atom_factor_coefficients)
std::istream &	operator>> (std::istream &s, AtomFactorCoefficients &atom_factor_coefficients)

Detailed Description

class that deals with form factor computation two form factors are supported: (i) zero form factors for faster approximated calculations (ii) full form factors for slower accurate calculations

Each form factor can be divided into two parts: vacuum and dummy. dummy is an approximated excluded volume (solvent) form factor. The approximation is done using Fraser, MacRae and Suzuki (1978) model.

Definition at line 48 of file FormFactorTable.h.

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

• FormFactorTable.h