#include <EnzFilters.hh>

Inheritance diagram for protocols::enzdes::LigBurialFilter:

Collaboration diagram for protocols::enzdes::LigBurialFilter:

Public Types
typedef protocols::filters::Filter	Filter

typedef protocols::filters::FilterOP	FilterOP

typedef protocols::filters::Filters_map	Filters_map

Public Member Functions
	LigBurialFilter ()

	LigBurialFilter (core::Size lig_id, core::Size const numneighbors, core::Real const distance_threshold)

bool	apply (core::pose::Pose const &pose) const
	Returns true if the given pose passes the filter, false otherwise. More...

void	report (std::ostream &out, core::pose::Pose const &pose) const

core::Real	report_sm (core::pose::Pose const &pose) const
	used to report filter internals through a score or silent file More...

core::Size	compute (core::pose::Pose const &pose) const

FilterOP	clone () const

FilterOP	fresh_instance () const

virtual	~LigBurialFilter ()

void	parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)

Public Member Functions inherited from protocols::filters::Filter
	Filter ()

	Filter (std::string const &)

	Filter (Filter const &)

virtual	~Filter ()

virtual std::string	get_type () const

std::string	get_user_defined_name () const

void	set_user_defined_name (std::string const &name)

virtual void	clear ()
	used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More...

virtual void	apply (core::io::serialization::PipeMap &pmap)

virtual void	score (core::io::serialization::PipeMap &pmap)

virtual core::Real	score (core::pose::Pose &pose)

virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks)

virtual std::string	name () const

Private Attributes
core::Size	lig_id_

core::Size	neighbors_

core::Real	distance_threshold_

Additional Inherited Members
Protected Attributes inherited from protocols::filters::Filter
std::string	scorename_

Detailed Description

Definition at line 71 of file EnzFilters.hh.

Member Typedef Documentation

typedef protocols::filters::Filter protocols::enzdes::LigBurialFilter::Filter

Definition at line 75 of file EnzFilters.hh.

typedef protocols::filters::FilterOP protocols::enzdes::LigBurialFilter::FilterOP

Definition at line 76 of file EnzFilters.hh.

typedef protocols::filters::Filters_map protocols::enzdes::LigBurialFilter::Filters_map

Definition at line 77 of file EnzFilters.hh.

Constructor & Destructor Documentation

protocols::enzdes::LigBurialFilter::LigBurialFilter ( )

inline

Definition at line 80 of file EnzFilters.hh.

Referenced by clone(), and fresh_instance().

protocols::enzdes::LigBurialFilter::LigBurialFilter	(	core::Size	lig_id,
		core::Size const	numneighbors,
		core::Real const	distance_threshold
	)

inline

Definition at line 81 of file EnzFilters.hh.

protocols::enzdes::LigBurialFilter::~LigBurialFilter ( )

virtual

Definition at line 286 of file EnzFilters.cc.

Member Function Documentation

bool protocols::enzdes::LigBurialFilter::apply ( core::pose::Pose const & pose) const

virtual

Returns true if the given pose passes the filter, false otherwise.

Implements protocols::filters::Filter.

Definition at line 232 of file EnzFilters.cc.

References compute(), neighbors_, and protocols::enzdes::TR().

FilterOP protocols::enzdes::LigBurialFilter::clone ( ) const

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 87 of file EnzFilters.hh.

References LigBurialFilter().

core::Size protocols::enzdes::LigBurialFilter::compute ( core::pose::Pose const & pose) const

counts the number of residues contacting the ligand

Definition at line 255 of file EnzFilters.cc.

References core::pose::Pose::conformation(), core::kinematics::distance(), distance_threshold_, protocols::ligand_docking::LigandBaseProtocol::get_ligand_id(), lig_id_, core::conformation::Conformation::residue(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), and protocols::enzdes::TR().

Referenced by apply(), report(), and report_sm().

FilterOP protocols::enzdes::LigBurialFilter::fresh_instance ( ) const

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 90 of file EnzFilters.hh.

References LigBurialFilter().

void protocols::enzdes::LigBurialFilter::parse_my_tag	(	utility::tag::TagPtr const	tag,
		protocols::moves::DataMap &	,
		Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &
	)