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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
IMP::saxs::RadialDistributionFunction Class Reference

#include <IMP/saxs/Distribution.h>

+ Inheritance diagram for IMP::saxs::RadialDistributionFunction:

Detailed Description

Radial Distribution class for calculating SAXS Profile this is distance distribution multiplied by form factors of atoms

Definition at line 72 of file saxs/distribution.h.

Public Member Functions

 RadialDistributionFunction (double bin_size=pr_resolution)
 Constructor (default) More...
 
 RadialDistributionFunction (const std::string &file_name)
 Constructor from gnom file. More...
 
void add (const RadialDistributionFunction &model_pr)
 add another distribution More...
 
void add_to_distribution (double dist, double value)
 
double fit (const RadialDistributionFunction &model_pr, const std::string &file_name="") const
 fit the distributions by scaling according to maximum More...
 
const std::vector< double > & get_square_root_distances () const
 Get square root of distance for each distribution point. More...
 
void normalize ()
 normalize to area = 1.0 More...
 
double R_factor_score (const RadialDistributionFunction &model_pr, const std::string &file_name="") const
 analogy crystallographic R-factor score More...
 
void scale (double c)
 scale distribution by a constant More...
 
void show (std::ostream &out=std::cout) const
 print tables More...
 
- Public Member Functions inherited from IMP::saxs::Distribution< double >
 Distribution (double bin_size=pr_resolution)
 Constructor. More...
 
double get_bin_size () const
 returns bin size More...
 
double get_distance_from_index (unsigned int index) const
 
unsigned int get_index_from_distance (double dist) const
 
double get_max_distance () const
 returns maximal distance value of distribution More...
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::saxs::Distribution< double >
void init (double bin_size)
 
- Protected Attributes inherited from IMP::saxs::Distribution< double >
double bin_size_
 
double max_distance_
 
double one_over_bin_size_
 

Constructor & Destructor Documentation

IMP::saxs::RadialDistributionFunction::RadialDistributionFunction ( double  bin_size = pr_resolution)

Constructor (default)

IMP::saxs::RadialDistributionFunction::RadialDistributionFunction ( const std::string &  file_name)

Constructor from gnom file.

Member Function Documentation

void IMP::saxs::RadialDistributionFunction::add ( const RadialDistributionFunction model_pr)

add another distribution

double IMP::saxs::RadialDistributionFunction::fit ( const RadialDistributionFunction model_pr,
const std::string &  file_name = "" 
) const

fit the distributions by scaling according to maximum

const std::vector<double>& IMP::saxs::RadialDistributionFunction::get_square_root_distances ( ) const

Get square root of distance for each distribution point.

This is cached, and points to internal storage, so should not be used after the distribution is modified or destroyed.

Definition at line 85 of file saxs/distribution.h.

void IMP::saxs::RadialDistributionFunction::normalize ( )

normalize to area = 1.0

double IMP::saxs::RadialDistributionFunction::R_factor_score ( const RadialDistributionFunction model_pr,
const std::string &  file_name = "" 
) const

analogy crystallographic R-factor score

void IMP::saxs::RadialDistributionFunction::scale ( double  c)

scale distribution by a constant

void IMP::saxs::RadialDistributionFunction::show ( std::ostream &  out = std::cout) const

print tables


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