#include <EnzFilters.hh>

Inheritance diagram for protocols::enzdes::EnzScoreFilter:

Collaboration diagram for protocols::enzdes::EnzScoreFilter:

Public Types
typedef protocols::filters::Filter	Filter

typedef protocols::filters::FilterOP	FilterOP

typedef protocols::filters::Filters_map	Filters_map

Public Member Functions
	EnzScoreFilter ()

	EnzScoreFilter (core::Size const resnum, std::string const cstid, core::scoring::ScoreFunctionOP scorefxn, core::scoring::ScoreType const score_type, core::Real const threshold, bool const whole_pose, bool const is_cstE)

	EnzScoreFilter (EnzScoreFilter const &init)

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

FilterOP	clone () const

FilterOP	fresh_instance () const

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

virtual	~EnzScoreFilter ()

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

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	resnum_

std::string	cstid_

core::scoring::ScoreFunctionOP	scorefxn_

core::scoring::ScoreType	score_type_

core::Real	threshold_

bool	whole_pose_

bool	is_cstE_

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

Detailed Description

Definition at line 145 of file EnzFilters.hh.

Member Typedef Documentation

typedef protocols::filters::Filter protocols::enzdes::EnzScoreFilter::Filter

Definition at line 149 of file EnzFilters.hh.

typedef protocols::filters::FilterOP protocols::enzdes::EnzScoreFilter::FilterOP

Definition at line 150 of file EnzFilters.hh.

typedef protocols::filters::Filters_map protocols::enzdes::EnzScoreFilter::Filters_map

Definition at line 151 of file EnzFilters.hh.

Constructor & Destructor Documentation

protocols::enzdes::EnzScoreFilter::EnzScoreFilter ( )

inline

Definition at line 154 of file EnzFilters.hh.

Referenced by clone(), and fresh_instance().

protocols::enzdes::EnzScoreFilter::EnzScoreFilter	(	core::Size const	resnum,
		std::string const	cstid,
		core::scoring::ScoreFunctionOP	scorefxn,
		core::scoring::ScoreType const	score_type,
		core::Real const	threshold,
		bool const	whole_pose,
		bool const	is_cstE
	)

Definition at line 451 of file EnzFilters.cc.

References score_type_, scorefxn_, and core::scoring::total_score.

protocols::enzdes::EnzScoreFilter::EnzScoreFilter ( EnzScoreFilter const & init)

Definition at line 464 of file EnzFilters.cc.

References scorefxn_.

protocols::enzdes::EnzScoreFilter::~EnzScoreFilter ( )

virtual

Definition at line 588 of file EnzFilters.cc.

Member Function Documentation

bool protocols::enzdes::EnzScoreFilter::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 473 of file EnzFilters.cc.

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

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

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 162 of file EnzFilters.hh.

References EnzScoreFilter().

core::Real protocols::enzdes::EnzScoreFilter::compute ( core::pose::Pose const & pose) const

Definition at line 495 of file EnzFilters.cc.

References protocols::enzdes::LigInterfaceEnergyFilter::constraint_energy(), core::pose::Pose::constraint_set(), cstid_, protocols::enzdes::enzutil::enable_constraint_scoreterms(), protocols::ligand_docking::LigandBaseProtocol::get_ligand_id(), protocols::enzdes::enzutil::get_resnum_from_cstid(), is_cstE_, resnum_, protocols::filters::Filter::score(), score_type_, scorefxn_, core::scoring::total_score, protocols::enzdes::TR(), and whole_pose_.

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

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

inlinevirtual

Implements protocols::filters::Filter.

Definition at line 165 of file EnzFilters.hh.

References EnzScoreFilter().

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