Rosetta: protocols::score_filters::ScoreTypeFilter Class Reference

Rosetta

#include <ScoreTypeFilter.hh>

Inheritance diagram for protocols::score_filters::ScoreTypeFilter:

Inheritance graph

[legend]

Public Member Functions
	ScoreTypeFilter ()
	Constructor. More...

	ScoreTypeFilter (core::scoring::ScoreFunctionCOP scorefxn, core::scoring::ScoreType const score_type, core::Real const score_type_threshold)
	Constructor with parameters. More...

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	set_scorefxn (core::scoring::ScoreFunctionCOP sfxn_in)
	Sets the scorefunction. More...

void	set_score_type (core::scoring::ScoreType const scoretype_in)
	Sets the score term that will be used for scoring. More...

void	set_threshold (core::Real const &thresh_in)
	Sets the energy threshold used for filtering. 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::Real	compute (core::pose::Pose const &pose) const

	~ScoreTypeFilter () 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...

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::Real	score_type_threshold_

core::scoring::ScoreType	score_type_

utility::pointer::DeepCopyOP< core::scoring::ScoreFunction >	scorefxn_

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

Constructor & Destructor Documentation

◆ ScoreTypeFilter() [1/2]

protocols::score_filters::ScoreTypeFilter::ScoreTypeFilter ( )

Constructor.

◆ ScoreTypeFilter() [2/2]

protocols::score_filters::ScoreTypeFilter::ScoreTypeFilter	(	core::scoring::ScoreFunctionCOP	scorefxn,
		core::scoring::ScoreType const	score_type,
		core::Real const	score_type_threshold
	)

Constructor with parameters.

◆ ~ScoreTypeFilter()

protocols::score_filters::ScoreTypeFilter::~ScoreTypeFilter ( )

overridedefault

Member Function Documentation

◆ apply()

bool protocols::score_filters::ScoreTypeFilter::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(), core::scoring::ScoreTypeManager::name_from_score_type(), protocols::filters::Filter::score(), score_type_, protocols::score_filters::score_type_filter_tracer(), and score_type_threshold_.

Referenced by protocols::forge::remodel::RemodelMover::apply().

◆ class_name()

std::string protocols::score_filters::ScoreTypeFilter::class_name ( )

static

Referenced by protocols::score_filters::ScoreTypeFilterCreator::keyname(), name(), and provide_xml_schema().

◆ clone()

filters::FilterOP protocols::score_filters::ScoreTypeFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ compute()

core::Real protocols::score_filters::ScoreTypeFilter::compute ( core::pose::Pose const & pose ) const

References core::chemical::CENTROID_t, core::scoring::fa_atr, core::scoring::fa_rep, core::chemical::FULL_ATOM_t, core::scoring::interchain_vdw, protocols::filters::Filter::score(), score_type_, scorefxn_, core::util::switch_to_residue_type_set(), core::scoring::total_score, and core::scoring::vdw.

Referenced by apply(), protocols::protein_interface_design::movers::SecretionOptimizationMover::apply(), protocols::forge::remodel::RemodelAccumulator::apply(), protocols::forge::remodel::RemodelMover::apply(), protocols::protein_interface_design::filters::BindingStrainFilter::compute(), protocols::protein_interface_design::filters::StubScoreFilter::compute(), protocols::pose_metric_calculators::RotamerBoltzCalculator::compute_boltz_weight_packrotamers(), protocols::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzWeight_lazy(), protocols::protein_interface_design::movers::MapHotspot::GenerateMap(), protocols::protein_interface_design::movers::PlaceSimultaneouslyMover::minimize_no_bb(), protocols::forge::remodel::RemodelAccumulator::recover_checkpoint(), report(), report_sm(), and protocols::protein_interface_design::movers::PlaceStubMover::StubMinimize().

◆ fresh_instance()

filters::FilterOP protocols::score_filters::ScoreTypeFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ name()

std::string protocols::score_filters::ScoreTypeFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::score_filters::ScoreTypeFilter::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 core::scoring::parse_score_function(), score_type_, protocols::score_filters::score_type_filter_tracer(), core::scoring::score_type_from_name(), score_type_threshold_, set_score_type(), set_scorefxn(), and set_threshold().

◆ provide_xml_schema()

void protocols::score_filters::ScoreTypeFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References core::scoring::attributes_for_parse_score_function(), class_name(), and protocols::filters::xsd_type_definition_w_attributes().

Referenced by protocols::score_filters::ScoreTypeFilterCreator::provide_xml_schema().

◆ report()

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

overridevirtual

Reimplemented from protocols::filters::Filter.

References compute(), core::scoring::ScoreTypeManager::name_from_score_type(), core::conformation::membrane::out, and score_type_.

◆ report_sm()

core::Real protocols::score_filters::ScoreTypeFilter::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().

◆ set_score_type()

void protocols::score_filters::ScoreTypeFilter::set_score_type ( core::scoring::ScoreType const scoretype_in )

inline

Sets the score term that will be used for scoring.

Author: Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)

References score_type_.

Referenced by parse_my_tag().

◆ set_scorefxn()

void protocols::score_filters::ScoreTypeFilter::set_scorefxn ( core::scoring::ScoreFunctionCOP sfxn_in )

inline

Sets the scorefunction.

Note that this filter stores a clone of the scorefunction.

Author: Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)

References scorefxn_.

Referenced by parse_my_tag().

◆ set_threshold()

void protocols::score_filters::ScoreTypeFilter::set_threshold ( core::Real const & thresh_in )

inline

Sets the energy threshold used for filtering.

Author: Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)

References score_type_threshold_.

Referenced by parse_my_tag().

Member Data Documentation

◆ score_type_

core::scoring::ScoreType protocols::score_filters::ScoreTypeFilter::score_type_

private

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

◆ score_type_threshold_

core::Real protocols::score_filters::ScoreTypeFilter::score_type_threshold_

private

Referenced by apply(), parse_my_tag(), and set_threshold().

◆ scorefxn_

utility::pointer::DeepCopyOP< core::scoring::ScoreFunction > protocols::score_filters::ScoreTypeFilter::scorefxn_

private

Referenced by compute(), and set_scorefxn().

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

src/protocols/score_filters/ScoreTypeFilter.hh
src/protocols/score_filters/ScoreTypeFilter.cc