protocols::motifs::MotifLibrary Class Reference

#include <MotifLibrary.hh>

Inheritance diagram for protocols::motifs::MotifLibrary:

Public Types
typedef utility::vector1< utility::file::FileName > const	FileNames

Public Member Functions
	MotifLibrary ()
	~MotifLibrary () override
	MotifLibrary (utility::vector1< utility::file::FileName > const &motif_filenames)
	MotifLibrary (std::istream &motif_info)
void	add_to_library (Motif const &new_motif)
	MotifLibrary (std::istream &motif_info, core::Size ligand_marker)
void	add_ligand_from_file (std::string const &motif_filename)
void	add_from_file (std::string const &motif_filename)
	MotifLibrary (std::istream &motif_info, bool check_for_bad_motifs, utility::vector1< std::string > const &ligand_atom_names)
void	add_ligand_from_file (std::string const &motif_filename, bool check_for_bad_motifs, utility::vector1< std::string > const &ligand_atom_names)
core::Size	nmotifs ()
MotifCOPs::const_iterator	begin ()
MotifCOPs::const_iterator	end ()
MotifCOPs::const_iterator	begin () const
MotifCOPs::const_iterator	end () const
MotifCOPs const &	library () const

Private Member Functions
void	check_ctor_helper (std::istream &motif_info, bool check_for_bad_motifs, utility::vector1< std::string > const &ligand_atom_names)

Private Attributes
MotifCOPs	library_

Friends
std::ostream &	operator<< (std::ostream &os, MotifLibrary const &mot_lib)

Member Typedef Documentation

FileNames

typedef utility::vector1< utility::file::FileName > const protocols::motifs::MotifLibrary::FileNames

Constructor & Destructor Documentation

MotifLibrary() [1/5]

protocols::motifs::MotifLibrary::MotifLibrary ( )

default

~MotifLibrary()

protocols::motifs::MotifLibrary::~MotifLibrary ( )

overridedefault

MotifLibrary() [2/5]

protocols::motifs::MotifLibrary::MotifLibrary

(

utility::vector1< utility::file::FileName > const &

motif_filenames

)

MotifLibrary() [3/5]

protocols::motifs::MotifLibrary::MotifLibrary

(

std::istream &

motif_info

)

References add_to_library(), and protocols::motifs::single_motif_from_stream().

MotifLibrary() [4/5]

protocols::motifs::MotifLibrary::MotifLibrary	(	std::istream &	motif_info,
		core::Size	ligand_marker
	)

References add_to_library(), and protocols::motifs::single_ligand_motif_from_stream().

MotifLibrary() [5/5]

protocols::motifs::MotifLibrary::MotifLibrary	(	std::istream &	motif_info,
		bool	check_for_bad_motifs,
		utility::vector1< std::string > const &	ligand_atom_names
	)

References check_ctor_helper().

Member Function Documentation

add_from_file()

void protocols::motifs::MotifLibrary::add_from_file

(

std::string const &

motif_filename

)

References add_to_library().

Referenced by protocols::motifs::get_MotifLibrary_user().

add_ligand_from_file() [1/2]

void protocols::motifs::MotifLibrary::add_ligand_from_file

(

std::string const &

motif_filename

)

References add_to_library().

Referenced by protocols::motifs::get_LigandMotifLibrary_user().

add_ligand_from_file() [2/2]

void protocols::motifs::MotifLibrary::add_ligand_from_file	(	std::string const &	motif_filename,
		bool	check_for_bad_motifs,
		utility::vector1< std::string > const &	ligand_atom_names
	)

References add_to_library().

add_to_library()

void protocols::motifs::MotifLibrary::add_to_library

(

Motif const &

new_motif

)

References protocols::motifs::Motif::clone(), and library_.

Referenced by add_from_file(), add_ligand_from_file(), check_ctor_helper(), MotifLibrary(), and IdentifyLigandMotifs::output_single_motif_to_MotifLibrary().

begin() [1/2]

MotifCOPs::const_iterator protocols::motifs::MotifLibrary::begin ( )

inline

References library_.

begin() [2/2]

MotifCOPs::const_iterator protocols::motifs::MotifLibrary::begin ( ) const

inline

References library_.

check_ctor_helper()

void protocols::motifs::MotifLibrary::check_ctor_helper ( std::istream &  motif_info, bool  check_for_bad_motifs, utility::vector1< std::string > const &  ligand_atom_names  )

private

References add_to_library(), and protocols::motifs::single_ligand_motif_from_stream().

Referenced by MotifLibrary().

end() [1/2]

MotifCOPs::const_iterator protocols::motifs::MotifLibrary::end ( )

inline

References library_.

end() [2/2]

MotifCOPs::const_iterator protocols::motifs::MotifLibrary::end ( ) const

inline

References library_.

library()

MotifCOPs const& protocols::motifs::MotifLibrary::library ( ) const

inline

References library_.

Referenced by IdentifyLigandMotifs::evaluate_motifs_of_pose(), protocols::motifs::MotifSearch::initialize(), protocols::motifs::LigandMotifSearch::initialize(), LigandDiscoverySearch::set_motif_library(), and protocols::motifs::write_motifs_to_disk().

nmotifs()

core::Size protocols::motifs::MotifLibrary::nmotifs

(

)

References library_.

Friends And Related Function Documentation

operator<<

std::ostream& operator<< ( std::ostream &  os, MotifLibrary const &  mot_lib  )

friend

Member Data Documentation

library_

MotifCOPs protocols::motifs::MotifLibrary::library_

private

Referenced by add_to_library(), begin(), end(), library(), and nmotifs().

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

• src/protocols/motifs/MotifLibrary.hh
• src/protocols/motifs/MotifLibrary.cc