Rosetta: protocols::fldsgn::filters::CoreDunbrackFilter Class Reference

Rosetta

#include <CoreDunbrackFilter.hh>

Inheritance diagram for protocols::fldsgn::filters::CoreDunbrackFilter:

Inheritance graph

[legend]

Public Types
typedef protocols::filters::Filter	Super

typedef protocols::filters::Filter	Filter

typedef protocols::filters::FilterOP	FilterOP

typedef core::Real	Real

typedef core::pose::Pose	Pose

typedef std::string	String

typedef core::scoring::ScoreFunction	ScoreFunction

typedef core::scoring::ScoreFunctionOP	ScoreFunctionOP

typedef utility::tag::TagCOP	TagCOP

typedef basic::datacache::DataMap	DataMap

Public Member Functions
	CoreDunbrackFilter ()

	CoreDunbrackFilter (String const &type, Real const value)

	CoreDunbrackFilter (CoreDunbrackFilter const &rval)

	~CoreDunbrackFilter () override

FilterOP	clone () const override

FilterOP	fresh_instance () const override

void	filter_value (Real const &ss)

void	filter_type (String const &ss)

void	parse_my_tag (TagCOP tag, basic::datacache::DataMap &) override
	parse xml More...

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

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

void	report (std::ostream &out, Pose const &pose) const override
	used to report score More...

Real	compute (Pose const &pose) 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
Real	filter_value_

String	type_

Real	fa_dun_danger_

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

Member Typedef Documentation

◆ DataMap

typedef basic::datacache::DataMap protocols::fldsgn::filters::CoreDunbrackFilter::DataMap

◆ Filter

typedef protocols::filters::Filter protocols::fldsgn::filters::CoreDunbrackFilter::Filter

◆ FilterOP

typedef protocols::filters::FilterOP protocols::fldsgn::filters::CoreDunbrackFilter::FilterOP

◆ Pose

typedef core::pose::Pose protocols::fldsgn::filters::CoreDunbrackFilter::Pose

◆ Real

typedef core::Real protocols::fldsgn::filters::CoreDunbrackFilter::Real

◆ ScoreFunction

typedef core::scoring::ScoreFunction protocols::fldsgn::filters::CoreDunbrackFilter::ScoreFunction

◆ ScoreFunctionOP

typedef core::scoring::ScoreFunctionOP protocols::fldsgn::filters::CoreDunbrackFilter::ScoreFunctionOP

◆ String

typedef std::string protocols::fldsgn::filters::CoreDunbrackFilter::String

◆ Super

typedef protocols::filters::Filter protocols::fldsgn::filters::CoreDunbrackFilter::Super

◆ TagCOP

typedef utility::tag::TagCOP protocols::fldsgn::filters::CoreDunbrackFilter::TagCOP

Constructor & Destructor Documentation

◆ CoreDunbrackFilter() [1/3]

protocols::fldsgn::filters::CoreDunbrackFilter::CoreDunbrackFilter ( )

◆ CoreDunbrackFilter() [2/3]

protocols::fldsgn::filters::CoreDunbrackFilter::CoreDunbrackFilter	(	String const &	type,
		Real const	value
	)

◆ CoreDunbrackFilter() [3/3]

protocols::fldsgn::filters::CoreDunbrackFilter::CoreDunbrackFilter ( CoreDunbrackFilter const & rval )

default

◆ ~CoreDunbrackFilter()

protocols::fldsgn::filters::CoreDunbrackFilter::~CoreDunbrackFilter ( )

inlineoverride

Member Function Documentation

◆ apply()

bool protocols::fldsgn::filters::CoreDunbrackFilter::apply ( Pose const & pose ) const

overridevirtual

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

Implements protocols::filters::Filter.

References compute(), filter_value_, core::pose::Pose::size(), tr(), and type_.

◆ class_name()

std::string protocols::fldsgn::filters::CoreDunbrackFilter::class_name ( )

static

Referenced by protocols::fldsgn::filters::CoreDunbrackFilterCreator::keyname(), name(), and provide_xml_schema().

◆ clone()

FilterOP protocols::fldsgn::filters::CoreDunbrackFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ compute()

CoreDunbrackFilter::Real protocols::fldsgn::filters::CoreDunbrackFilter::compute ( Pose const & pose ) const

References core::pose::Pose::aa(), core::scoring::calc_per_atom_sasa(), core::pose::Pose::energies(), core::scoring::fa_dun, fa_dun_danger_, core::scoring::get_score_function(), core::pose::initialize_atomid_map(), core::chemical::name_from_aa(), core::scoring::Energies::residue_total_energies(), core::id::AtomID_Map< T >::set(), core::pose::Pose::size(), tr(), and type_.

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

◆ filter_type()

void protocols::fldsgn::filters::CoreDunbrackFilter::filter_type ( String const & ss )

References type_.

◆ filter_value()

void protocols::fldsgn::filters::CoreDunbrackFilter::filter_value ( Real const & ss )

References filter_value_.

◆ fresh_instance()

FilterOP protocols::fldsgn::filters::CoreDunbrackFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ name()

std::string protocols::fldsgn::filters::CoreDunbrackFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::fldsgn::filters::CoreDunbrackFilter::parse_my_tag	(	TagCOP	tag,
		basic::datacache::DataMap &
	)

overridevirtual

parse xml

Reimplemented from protocols::filters::Filter.

References filter_value_, tr(), and type_.

◆ provide_xml_schema()

void protocols::fldsgn::filters::CoreDunbrackFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

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

Referenced by protocols::fldsgn::filters::CoreDunbrackFilterCreator::provide_xml_schema().

◆ report()

void protocols::fldsgn::filters::CoreDunbrackFilter::report	(	std::ostream &	out,
		Pose const &	pose
	)		const

overridevirtual

used to report score

Reimplemented from protocols::filters::Filter.

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

◆ report_sm()

CoreDunbrackFilter::Real protocols::fldsgn::filters::CoreDunbrackFilter::report_sm ( 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

◆ fa_dun_danger_

Real protocols::fldsgn::filters::CoreDunbrackFilter::fa_dun_danger_

private

Referenced by compute().

◆ filter_value_

Real protocols::fldsgn::filters::CoreDunbrackFilter::filter_value_

private

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

◆ type_

String protocols::fldsgn::filters::CoreDunbrackFilter::type_

private

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

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

src/protocols/fldsgn/filters/CoreDunbrackFilter.hh
src/protocols/fldsgn/filters/CoreDunbrackFilter.cc