IMP  2.1.0
The Integrative Modeling Platform
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 Floatsget_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 Floatsget_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 Floatsget_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 Floatsget_water_dummy_form_factors () const
 full water dummy form factor
 
Float get_water_form_factor () const
 f(0) for water
 
const Floatsget_water_form_factors () const
 full water form factor
 
const Floatsget_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 44 of file FormFactorTable.h.


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