Rosetta: protocols::buns::BuriedUnsatHbondFilter2 Class Reference

Rosetta

filters based on an upper bound # of buried unsatisfied polar residues More...

#include <BuriedUnsatHbondFilter2.hh>

Inheritance diagram for protocols::buns::BuriedUnsatHbondFilter2:

Inheritance graph

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Public Member Functions
	BuriedUnsatHbondFilter2 ()

	BuriedUnsatHbondFilter2 (core::Size const upper_threshold, core::Size const jump_num)

	BuriedUnsatHbondFilter2 (BuriedUnsatHbondFilter2 const &rval)

protocols::filters::FilterOP	clone () const override

protocols::filters::FilterOP	fresh_instance () const override

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

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

	~BuriedUnsatHbondFilter2 () override

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...

void	task_factory (core::pack::task::TaskFactoryOP tf)

core::pack::task::TaskFactoryOP	task_factory () const

std::string	name () const override

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 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
core::scoring::ScoreFunctionCOP	sfxn_

core::Size	upper_threshold_

core::Size	jump_num_

core::pack::task::TaskFactoryOP	task_factory_

protocols::buns::BuriedUnsatisfiedPolarsCalculator2OP	calc_

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

Detailed Description

filters based on an upper bound # of buried unsatisfied polar residues

Constructor & Destructor Documentation

◆ BuriedUnsatHbondFilter2() [1/3]

protocols::buns::BuriedUnsatHbondFilter2::BuriedUnsatHbondFilter2 ( )

◆ BuriedUnsatHbondFilter2() [2/3]

protocols::buns::BuriedUnsatHbondFilter2::BuriedUnsatHbondFilter2	(	core::Size const	upper_threshold,
		core::Size const	jump_num
	)

◆ BuriedUnsatHbondFilter2() [3/3]

protocols::buns::BuriedUnsatHbondFilter2::BuriedUnsatHbondFilter2 ( BuriedUnsatHbondFilter2 const & rval )

◆ ~BuriedUnsatHbondFilter2()

protocols::buns::BuriedUnsatHbondFilter2::~BuriedUnsatHbondFilter2 ( )

overridedefault

Member Function Documentation

◆ apply()

bool protocols::buns::BuriedUnsatHbondFilter2::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(), protocols::buns::TR(), and upper_threshold_.

◆ class_name()

std::string protocols::buns::BuriedUnsatHbondFilter2::class_name ( )

static

Referenced by protocols::buns::BuriedUnsatHbondFilter2Creator::keyname(), name(), and provide_xml_schema().

◆ clone()

protocols::filters::FilterOP protocols::buns::BuriedUnsatHbondFilter2::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ compute()

core::Size protocols::buns::BuriedUnsatHbondFilter2::compute ( core::pose::Pose const & pose ) const

References protocols::rigid::RigidBodyTransMover::apply(), calc_, core::scoring::get_score_function(), jump_num_, protocols::mean_field::max(), core::pose::Pose::num_jump(), core::pose::Pose::pdb_info(), protocols::rosetta_scripts::residue_packer_states(), core::pose::Pose::size(), protocols::rigid::RigidBodyTransMover::step_size(), task_factory(), task_factory_, protocols::buns::TR(), protocols::rigid::RigidBodyTransMover::trans_axis(), and core::pose::Pose::update_residue_neighbors().

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

◆ fresh_instance()

protocols::filters::FilterOP protocols::buns::BuriedUnsatHbondFilter2::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ name()

std::string protocols::buns::BuriedUnsatHbondFilter2::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::buns::BuriedUnsatHbondFilter2::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 calc_, core::scoring::get_score_function(), core::scoring::get_score_function_name(), jump_num_, core::pack::task::parse_task_operations(), sfxn_, task_factory(), protocols::buns::TR(), and upper_threshold_.

◆ provide_xml_schema()

void protocols::buns::BuriedUnsatHbondFilter2::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References core::scoring::attributes_for_get_score_function_name(), core::pack::task::attributes_for_parse_task_operations(), class_name(), and protocols::filters::xsd_type_definition_w_attributes().

Referenced by protocols::buns::BuriedUnsatHbondFilter2Creator::provide_xml_schema().

◆ report()

void protocols::buns::BuriedUnsatHbondFilter2::report	(	std::ostream &	out,
		core::pose::Pose const &	pose
	)		const

overridevirtual

Reimplemented from protocols::filters::Filter.

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

◆ report_sm()

core::Real protocols::buns::BuriedUnsatHbondFilter2::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().

◆ task_factory() [1/2]

core::pack::task::TaskFactoryOP protocols::buns::BuriedUnsatHbondFilter2::task_factory ( ) const

References task_factory_.

Referenced by compute(), and parse_my_tag().

◆ task_factory() [2/2]

void protocols::buns::BuriedUnsatHbondFilter2::task_factory ( core::pack::task::TaskFactoryOP tf )

References task_factory_.

Member Data Documentation

◆ calc_

protocols::buns::BuriedUnsatisfiedPolarsCalculator2OP protocols::buns::BuriedUnsatHbondFilter2::calc_

private

Referenced by compute(), and parse_my_tag().

◆ jump_num_

core::Size protocols::buns::BuriedUnsatHbondFilter2::jump_num_

private

Referenced by compute(), and parse_my_tag().

◆ sfxn_

core::scoring::ScoreFunctionCOP protocols::buns::BuriedUnsatHbondFilter2::sfxn_

private

Referenced by parse_my_tag().

◆ task_factory_

core::pack::task::TaskFactoryOP protocols::buns::BuriedUnsatHbondFilter2::task_factory_

private

Referenced by compute(), and task_factory().

◆ upper_threshold_

core::Size protocols::buns::BuriedUnsatHbondFilter2::upper_threshold_

private

Referenced by apply(), and parse_my_tag().

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

src/protocols/buns/BuriedUnsatHbondFilter2.hh
src/protocols/buns/BuriedUnsatHbondFilter2.cc