protocols::simple_filters::ResidueSetChainEnergyFilter Class Reference

#include <ResidueSetChainEnergyFilter.hh>

Inheritance diagram for protocols::simple_filters::ResidueSetChainEnergyFilter:

Public Member Functions
	ResidueSetChainEnergyFilter ()
	ResidueSetChainEnergyFilter (core::scoring::ScoreFunctionCOP scorefxn, core::scoring::ScoreType const score_type, core::Real const score_type_threshold, std::string string_resnums, core::Size chain)
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
	~ResidueSetChainEnergyFilter () 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 (Filter 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_
core::scoring::ScoreFunctionOP	scorefxn_
std::string	string_resnums_
core::Size	chain_

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

Constructor & Destructor Documentation

protocols::simple_filters::ResidueSetChainEnergyFilter::ResidueSetChainEnergyFilter

(

)

protocols::simple_filters::ResidueSetChainEnergyFilter::ResidueSetChainEnergyFilter	(	core::scoring::ScoreFunctionCOP	scorefxn,
		core::scoring::ScoreType const	score_type,
		core::Real const	score_type_threshold,
		std::string	string_resnums,
		core::Size	chain
	)

References chain_, score_type_, score_type_threshold_, scorefxn_, and string_resnums_.

protocols::simple_filters::ResidueSetChainEnergyFilter::~ResidueSetChainEnergyFilter ( )

overridedefault

Member Function Documentation

bool protocols::simple_filters::ResidueSetChainEnergyFilter::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_, score_type_threshold_, and protocols::simple_filters::TR().

std::string protocols::simple_filters::ResidueSetChainEnergyFilter::class_name ( )

static

Referenced by protocols::simple_filters::ResidueSetChainEnergyFilterCreator::keyname(), name(), and provide_xml_schema().

filters::FilterOP protocols::simple_filters::ResidueSetChainEnergyFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

core::Real protocols::simple_filters::ResidueSetChainEnergyFilter::compute

(

core::pose::Pose const &

pose

)

const

References core::chemical::CENTROID_t, core::pose::Pose::chain(), chain_, core::scoring::EMapVector::dot(), core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), core::scoring::fa_atr, core::scoring::fa_rep, core::chemical::FULL_ATOM_t, core::pose::get_resnum_list_ordered(), core::scoring::interchain_vdw, core::pose::Pose::is_centroid(), core::pose::Pose::is_fullatom(), protocols::filters::Filter::score(), score_type_, scorefxn_, core::pose::Pose::size(), string_resnums_, core::util::switch_to_residue_type_set(), core::scoring::total_score, and core::scoring::vdw.

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

filters::FilterOP protocols::simple_filters::ResidueSetChainEnergyFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

std::string protocols::simple_filters::ResidueSetChainEnergyFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_filters::ResidueSetChainEnergyFilter::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 chain_, core::scoring::parse_score_function(), score_type_, core::scoring::score_type_from_name(), score_type_threshold_, scorefxn_, string_resnums_, and protocols::simple_filters::TR().

void protocols::simple_filters::ResidueSetChainEnergyFilter::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::simple_filters::ResidueSetChainEnergyFilterCreator::provide_xml_schema().

void protocols::simple_filters::ResidueSetChainEnergyFilter::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(), and score_type_.

core::Real protocols::simple_filters::ResidueSetChainEnergyFilter::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

core::Size protocols::simple_filters::ResidueSetChainEnergyFilter::chain_

private

Referenced by compute(), parse_my_tag(), and ResidueSetChainEnergyFilter().

core::scoring::ScoreType protocols::simple_filters::ResidueSetChainEnergyFilter::score_type_

private

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

core::Real protocols::simple_filters::ResidueSetChainEnergyFilter::score_type_threshold_

private

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

core::scoring::ScoreFunctionOP protocols::simple_filters::ResidueSetChainEnergyFilter::scorefxn_

private

Referenced by compute(), parse_my_tag(), and ResidueSetChainEnergyFilter().

std::string protocols::simple_filters::ResidueSetChainEnergyFilter::string_resnums_

private

Referenced by compute(), parse_my_tag(), and ResidueSetChainEnergyFilter().

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

• src/protocols/simple_filters/ResidueSetChainEnergyFilter.hh
• src/protocols/simple_filters/ResidueSetChainEnergyFilter.cc