IMP
2.0.1
The Integrative Modeling Platform
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#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 (Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const |
f(0) for solvent | |
const Floats & | get_dummy_form_factors (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 (Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const |
get f(0), ie q=0 for real space profile calculation | |
const Floats & | get_form_factors (Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const |
full form factor for reciprocal space profile calculation | |
Float | get_radius (Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const |
radius | |
Float | get_vacuum_form_factor (Particle *p, FormFactorType ff_type=HEAVY_ATOMS) const |
f(0) in vacuum | |
const Floats & | get_vacuum_form_factors (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 (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_ |
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.