Rosetta: RDF_Mover Class Reference

Rosetta

Inheritance diagram for RDF_Mover:

Inheritance graph

[legend]

Public Member Functions
	RDF_Mover (core::Size natypes=26, utility::vector1< bool > sep_ss=utility::vector1< bool >(26, false))

utility::vector1< core::Size > const &	hist (core::Size atype1, std::string ss1, core::Size atype2, std::string ss2) const

utility::vector1< core::Size > &	hist (core::Size atype1, std::string ss1, core::Size atype2, std::string ss2)

void	apply (core::pose::Pose &pose)

core::Size const	max_atype () const

std::string const	atom_type_name (core::Size i) const

void	write_R_data_file (std::ostream &out)

Private Attributes
utility::vector1< std::map< std::string, utility::vector1< std::map< std::string, utility::vector1< core::Size > > > > >	hist_

core::Size	max_atype_

utility::vector1< std::string >	type_names_

utility::vector1< bool >	sep_ss_

Constructor & Destructor Documentation

◆ RDF_Mover()

RDF_Mover::RDF_Mover	(	core::Size	natypes = `26`,
		utility::vector1< bool >	sep_ss = `utility::vector1<bool>(26,false)`
	)

inline

References hist_, create_a3b_hbs::i, subloop_histogram::iterator, create_a3b_hbs::j, max_atype_, and sep_ss_.

Member Function Documentation

◆ apply()

void RDF_Mover::apply ( core::pose::Pose & pose )

inline

References create_a3b_hbs::bin, utility::io::oc::cerr, utility::io::oc::cout, numeric::xyzVector< T >::distance_squared(), basic::options::OptionKeys::in::file::dssp, hist(), create_a3b_hbs::i, max_atype_, name, natoms(), beta_nonlocal::pose, sep_ss_, basic::options::OptionKeys::mh::match::ss1, basic::options::OptionKeys::mh::match::ss2, tag_from_pose(), and type_names_.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

◆ atom_type_name()

std::string const RDF_Mover::atom_type_name ( core::Size i ) const

inline

References create_a3b_hbs::i, and type_names_.

Referenced by write_R_data_file().

◆ hist() [1/2]

utility::vector1<core::Size>& RDF_Mover::hist	(	core::Size	atype1,
		std::string	ss1,
		core::Size	atype2,
		std::string	ss2
	)

inline

References hist_, basic::options::OptionKeys::mh::match::ss1, and basic::options::OptionKeys::mh::match::ss2.

◆ hist() [2/2]

utility::vector1<core::Size> const& RDF_Mover::hist	(	core::Size	atype1,
		std::string	ss1,
		core::Size	atype2,
		std::string	ss2
	)		const

inline

References hist_, basic::options::OptionKeys::mh::match::ss1, and basic::options::OptionKeys::mh::match::ss2.

Referenced by apply(), main(), and write_R_data_file().

◆ max_atype()

core::Size const RDF_Mover::max_atype ( ) const

inline

References max_atype_.

◆ write_R_data_file()

void RDF_Mover::write_R_data_file ( std::ostream & out )

inline

References atom_type_name(), bin_torsions::counts, hist(), create_a3b_hbs::i, subloop_histogram::iterator, create_a3b_hbs::j, create_a3b_hbs::k, max_atype_, sep_ss_, and type_names_.

Member Data Documentation

◆ hist_

utility::vector1< std::map< std::string, utility::vector1< std::map< std::string, utility::vector1<core::Size> > > > > RDF_Mover::hist_

private

Referenced by hist(), and RDF_Mover().

◆ max_atype_

core::Size RDF_Mover::max_atype_

private

Referenced by apply(), max_atype(), RDF_Mover(), and write_R_data_file().

◆ sep_ss_

utility::vector1<bool> RDF_Mover::sep_ss_

private

Referenced by apply(), RDF_Mover(), and write_R_data_file().

◆ type_names_

utility::vector1<std::string> RDF_Mover::type_names_

private

Referenced by apply(), atom_type_name(), and write_R_data_file().

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

src/apps/pilot/will/old/atom_type_rdf.cc