Rosetta: protocols::drug_design::AtomExistsFilter Class Reference

Rosetta

#include <AtomExistsFilter.hh>

Inheritance diagram for protocols::drug_design::AtomExistsFilter:

Inheritance graph

[legend]

Public Member Functions
	AtomExistsFilter ()

	AtomExistsFilter (std::string const &residue, std::string const &atom_name)

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 (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	residue_

std::string	atom_name_

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

Constructor & Destructor Documentation

◆ AtomExistsFilter() [1/2]

protocols::drug_design::AtomExistsFilter::AtomExistsFilter ( )

inline

Referenced by clone(), and fresh_instance().

◆ AtomExistsFilter() [2/2]

protocols::drug_design::AtomExistsFilter::AtomExistsFilter	(	std::string const &	residue,
		std::string const &	atom_name
	)

inline

Member Function Documentation

◆ apply()

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

overridevirtual

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

Implements protocols::filters::Filter.

References atom_name_, compute(), residue_, and protocols::drug_design::TR().

◆ class_name()

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

static

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

◆ clone()

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

inlineoverridevirtual

Implements protocols::filters::Filter.

References AtomExistsFilter().

◆ compute()

core::Real protocols::drug_design::AtomExistsFilter::compute ( core::pose::Pose const & pose ) const

References atom_name_, core::chemical::ResidueType::has(), core::chemical::ResidueTypeBase::name(), core::pose::parse_resnum(), core::pose::Pose::residue(), residue_, core::pose::Pose::total_residue(), protocols::drug_design::TR(), and core::conformation::Residue::type().

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

◆ fresh_instance()

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

inlineoverridevirtual

Implements protocols::filters::Filter.

References AtomExistsFilter().

◆ parse_my_tag()

void protocols::drug_design::AtomExistsFilter::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 atom_name_, residue_, and protocols::drug_design::TR().

◆ provide_xml_schema()

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

static

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

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

◆ report()

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

overridevirtual

Reimplemented from protocols::filters::Filter.

References atom_name_, compute(), core::conformation::membrane::out, and residue_.

◆ report_sm()

core::Real protocols::drug_design::AtomExistsFilter::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().

Member Data Documentation

◆ atom_name_

std::string protocols::drug_design::AtomExistsFilter::atom_name_

private

Referenced by apply(), compute(), parse_my_tag(), and report().

◆ residue_

std::string protocols::drug_design::AtomExistsFilter::residue_

private

Referenced by apply(), compute(), parse_my_tag(), and report().

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

src/protocols/drug_design/AtomExistsFilter.hh
src/protocols/drug_design/AtomExistsFilter.cc