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core::scoring::saxs::FormFactorManager Class Reference

selects a given number of fragments using a quota scheme More...

#include <FormFactorManager.hh>

Public Member Functions

void register_ff (std::string atom_name, FormFactorOP new_ff)
 
void load_ff (std::string config_file)
 
void load_ff_from_db (std::string file_name)
 
bool is_known_atom (std::string atom_name)
 returns true if the manager has form factor function for a given atom More...
 
FormFactorOP get_ff (Size atom_id)
 returns form factor function for a given atom index More...
 
Size count_ff ()
 returns the number of form factors registered in this manager More...
 
FormFactorOP get_ff (std::string atom_name)
 returns form factor function for a given atom More...
 
utility::vector1< std::string > get_known_atoms ()
 returns a vector of know atom names More...
 
Size get_atom_index (std::string atom_name)
 returns an index of an atom type or 0 if teh atom is not registered More...
 
void tabulate (const utility::vector1< Real > &q)
 asks all the registered form factors to tabulate their values for the new vector of q-arguments More...
 

Static Public Member Functions

static FormFactorManagerget_manager ()
 return singleton of the manager More...
 

Private Member Functions

 FormFactorManager ()
 Constructor reads basic form factors from library. More...
 

Private Attributes

std::map< std::string,
FormFactorOP
ff_map_
 all known FF are stored here More...
 
utility::vector1< FormFactorOPff_vector_
 vector of all known form factor, stored as OPs More...
 
utility::vector1< std::string > known_atoms_
 all known atom names More...
 
std::map< std::string, Sizenames_to_indexes_
 maps all known atom names to integer indexes in ff_vector More...
 

Static Private Attributes

static FormFactorManagersingleton_
 

Detailed Description

selects a given number of fragments using a quota scheme

Constructor & Destructor Documentation

core::scoring::saxs::FormFactorManager::FormFactorManager ( )
inlineprivate

Constructor reads basic form factors from library.

Referenced by get_manager().

Member Function Documentation

Size core::scoring::saxs::FormFactorManager::count_ff ( )
inline

returns the number of form factors registered in this manager

References ff_vector_.

Size core::scoring::saxs::FormFactorManager::get_atom_index ( std::string  atom_name)
inline

returns an index of an atom type or 0 if teh atom is not registered

References names_to_indexes_.

FormFactorOP core::scoring::saxs::FormFactorManager::get_ff ( Size  atom_id)
inline

returns form factor function for a given atom index

References ff_vector_.

Referenced by protocols::scoring::methods::saxs::PDDFEnergy::compute_pddf(), and core::scoring::saxs::SAXSEnergy::rehash_form_factors().

FormFactorOP core::scoring::saxs::FormFactorManager::get_ff ( std::string  atom_name)

returns form factor function for a given atom

References ff_map_, and core::scoring::saxs::trFormFactorManager().

utility::vector1<std::string> core::scoring::saxs::FormFactorManager::get_known_atoms ( )
inline

returns a vector of know atom names

References known_atoms_.

FormFactorManager * core::scoring::saxs::FormFactorManager::get_manager ( )
static

return singleton of the manager

References FormFactorManager(), and singleton_.

Referenced by core::scoring::saxs::SAXSEnergy::init_ff().

bool core::scoring::saxs::FormFactorManager::is_known_atom ( std::string  atom_name)

returns true if the manager has form factor function for a given atom

References ff_map_.

Referenced by protocols::scoring::methods::saxs::PDDFEnergy::compute_pddf(), and core::scoring::saxs::SAXSEnergy::rehash_form_factors().

void core::scoring::saxs::FormFactorManager::load_ff ( std::string  config_file)
void core::scoring::saxs::FormFactorManager::load_ff_from_db ( std::string  file_name)
void core::scoring::saxs::FormFactorManager::register_ff ( std::string  atom_name,
FormFactorOP  new_ff 
)
void core::scoring::saxs::FormFactorManager::tabulate ( const utility::vector1< Real > &  q)
inline

asks all the registered form factors to tabulate their values for the new vector of q-arguments

References ff_vector_.

Referenced by core::scoring::saxs::SAXSEnergy::rehash_form_factors().

Member Data Documentation

std::map<std::string,FormFactorOP> core::scoring::saxs::FormFactorManager::ff_map_
private

all known FF are stored here

Referenced by get_ff(), is_known_atom(), and register_ff().

utility::vector1<FormFactorOP> core::scoring::saxs::FormFactorManager::ff_vector_
private

vector of all known form factor, stored as OPs

Referenced by count_ff(), get_ff(), register_ff(), and tabulate().

utility::vector1<std::string> core::scoring::saxs::FormFactorManager::known_atoms_
private

all known atom names

Referenced by get_known_atoms(), and register_ff().

std::map<std::string,Size> core::scoring::saxs::FormFactorManager::names_to_indexes_
private

maps all known atom names to integer indexes in ff_vector

Referenced by get_atom_index(), and register_ff().

FormFactorManager * core::scoring::saxs::FormFactorManager::singleton_
staticprivate

Referenced by get_manager().


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