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 FormFactorManager *	get_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< FormFactorOP >	ff_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, Size >	names_to_indexes_
	maps all known atom names to integer indexes in ff_vector More...

Static Private Attributes
static FormFactorManager *	singleton_

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::energy_methods::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::energy_methods::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::energy_methods::SAXSEnergy::rehash_form_factors().

void core::scoring::saxs::FormFactorManager::load_ff

(

std::string

config_file

)

References core::pack::dunbrack::c, register_ff(), and core::scoring::saxs::trFormFactorManager().

Referenced by core::energy_methods::SAXSEnergy::init_ff().

void core::scoring::saxs::FormFactorManager::load_ff_from_db

(

std::string

file_name

)

References core::pack::dunbrack::c, register_ff(), and core::scoring::saxs::trFormFactorManager().

Referenced by core::energy_methods::SAXSEnergy::init_ff().

void core::scoring::saxs::FormFactorManager::register_ff	(	std::string	atom_name,
		FormFactorOP	new_ff
	)

References ff_map_, ff_vector_, known_atoms_, and names_to_indexes_.

Referenced by load_ff(), and load_ff_from_db().

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::energy_methods::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().

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

• src/core/scoring/saxs/FormFactorManager.hh
• src/core/scoring/saxs/FormFactorManager.cc