Rosetta: protocols::drug_design::LigandLocationFilter Class Reference

Rosetta

#include <LigandLocationFilter.hh>

Inheritance diagram for protocols::drug_design::LigandLocationFilter:

Inheritance graph

[legend]

Public Member Functions
	LigandLocationFilter ()

	~LigandLocationFilter () override

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

filters::FilterOP	clone () const override

filters::FilterOP	fresh_instance () const override

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

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

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

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
	Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. More...

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

	Filter (std::string const &)

	~Filter () override

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

virtual std::string	name () const

virtual void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const
	Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Static Public Member Functions
static std::string	class_name ()

static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

Private Attributes
std::string	chain_

core::Real	radius_

core::Vector	center_

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

Constructor & Destructor Documentation

◆ LigandLocationFilter()

protocols::drug_design::LigandLocationFilter::LigandLocationFilter ( )

inline

Referenced by clone(), and fresh_instance().

◆ ~LigandLocationFilter()

protocols::drug_design::LigandLocationFilter::~LigandLocationFilter ( )

inlineoverride

Member Function Documentation

◆ apply()

bool protocols::drug_design::LigandLocationFilter::apply ( core::pose::Pose const & pose ) const

overridevirtual

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

Implements protocols::filters::Filter.

References compute_distance(), core::kinematics::distance(), radius_, and protocols::drug_design::TR().

◆ class_name()

std::string protocols::drug_design::LigandLocationFilter::class_name ( )

static

Referenced by protocols::drug_design::LigandLocationFilterCreator::keyname(), and provide_xml_schema().

◆ clone()

filters::FilterOP protocols::drug_design::LigandLocationFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

References LigandLocationFilter().

◆ compute_distance()

core::Real protocols::drug_design::LigandLocationFilter::compute_distance ( core::pose::Pose const & pose ) const

References center_, protocols::geometry::centroid_by_chain(), chain_, core::kinematics::distance(), and core::pose::get_chain_id_from_chain().

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

◆ fresh_instance()

filters::FilterOP protocols::drug_design::LigandLocationFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

References LigandLocationFilter().

◆ parse_my_tag()

void protocols::drug_design::LigandLocationFilter::parse_my_tag	(	utility::tag::TagCOP	,
		basic::datacache::DataMap &
	)

overridevirtual

Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing.

Reimplemented from protocols::filters::Filter.

References center_, chain_, protocols::filters::Filter::name(), and radius_.

◆ provide_xml_schema()

void protocols::drug_design::LigandLocationFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References class_name(), and protocols::filters::xsd_type_definition_w_attributes_and_repeatable_subelements().

Referenced by protocols::drug_design::LigandLocationFilterCreator::provide_xml_schema().

◆ report()

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

overridevirtual

Reimplemented from protocols::filters::Filter.

References compute_distance(), core::kinematics::distance(), and core::conformation::membrane::out.

◆ report_sm()

core::Real protocols::drug_design::LigandLocationFilter::report_sm ( core::pose::Pose const & ) const

overridevirtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute_distance().

Member Data Documentation

◆ center_

core::Vector protocols::drug_design::LigandLocationFilter::center_

private

Referenced by compute_distance(), and parse_my_tag().

◆ chain_

std::string protocols::drug_design::LigandLocationFilter::chain_

private

Referenced by compute_distance(), and parse_my_tag().

◆ radius_

core::Real protocols::drug_design::LigandLocationFilter::radius_

private

Referenced by apply(), and parse_my_tag().

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

src/protocols/drug_design/LigandLocationFilter.hh
src/protocols/drug_design/LigandLocationFilter.cc