Rosetta: protocols::simple_filters::SidechainRmsdFilter Class Reference

Rosetta

#include <SidechainRmsdFilter.hh>

Inheritance diagram for protocols::simple_filters::SidechainRmsdFilter:

Inheritance graph

[legend]

Public Member Functions
	SidechainRmsdFilter ()

	SidechainRmsdFilter (std::string const &res1, std::string const &res2, core::Real const rmsd_threshold)

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

filters::FilterOP	clone () const override

filters::FilterOP	fresh_instance () const override

	~SidechainRmsdFilter () 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
std::string	res1_

std::string	res2_

core::Real	rmsd_threshold_

core::pose::PoseCOP	reference_pose_

bool	include_backbone_

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

Constructor & Destructor Documentation

◆ SidechainRmsdFilter() [1/2]

protocols::simple_filters::SidechainRmsdFilter::SidechainRmsdFilter ( )

◆ SidechainRmsdFilter() [2/2]

protocols::simple_filters::SidechainRmsdFilter::SidechainRmsdFilter	(	std::string const &	res1,
		std::string const &	res2,
		core::Real const	rmsd_threshold
	)

◆ ~SidechainRmsdFilter()

protocols::simple_filters::SidechainRmsdFilter::~SidechainRmsdFilter ( )

overridedefault

Member Function Documentation

◆ apply()

bool protocols::simple_filters::SidechainRmsdFilter::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(), res1_, rmsd_threshold_, and protocols::simple_filters::sidechain_rmsd_filter_tracer().

◆ class_name()

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

static

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

◆ clone()

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

overridevirtual

Implements protocols::filters::Filter.

◆ compute()

core::Real protocols::simple_filters::SidechainRmsdFilter::compute ( core::pose::Pose const & pose ) const

References core::conformation::Residue::aa(), core::scoring::automorphic_rmsd(), core::pose::Pose::conformation(), core::conformation::copy_residue_coordinates_and_rebuild_missing_atoms(), core::conformation::ResidueFactory::create_residue(), include_backbone_, core::chemical::ResidueTypeBase::mode(), core::pose::parse_resnum(), reference_pose_, res1_, res2_, core::conformation::Conformation::residue(), core::pose::Pose::residue_type_set_for_pose(), core::conformation::Residue::type(), and core::chemical::VIRTUAL_BB.

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

◆ fresh_instance()

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

overridevirtual

Implements protocols::filters::Filter.

◆ name()

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

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::simple_filters::SidechainRmsdFilter::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 class_name(), core::pose::get_resnum_string(), include_backbone_, protocols::rosetta_scripts::legacy_saved_pose_or_input(), reference_pose_, res1_, res2_, and rmsd_threshold_.

◆ provide_xml_schema()

void protocols::simple_filters::SidechainRmsdFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References core::pose::attributes_for_get_resnum_string(), protocols::rosetta_scripts::attributes_for_saved_reference_pose(), class_name(), and protocols::filters::xsd_type_definition_w_attributes().

Referenced by protocols::simple_filters::SidechainRmsdFilterCreator::provide_xml_schema().

◆ report()

void protocols::simple_filters::SidechainRmsdFilter::report	(	std::ostream &	out,
		core::pose::Pose const &	pose
	)		const

overridevirtual

Reimplemented from protocols::filters::Filter.

References compute(), core::conformation::membrane::out, and res1_.

◆ report_sm()

core::Real protocols::simple_filters::SidechainRmsdFilter::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

◆ include_backbone_

bool protocols::simple_filters::SidechainRmsdFilter::include_backbone_

private

Referenced by compute(), and parse_my_tag().

◆ reference_pose_

core::pose::PoseCOP protocols::simple_filters::SidechainRmsdFilter::reference_pose_

private

Referenced by compute(), and parse_my_tag().

◆ res1_

std::string protocols::simple_filters::SidechainRmsdFilter::res1_

private

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

◆ res2_

std::string protocols::simple_filters::SidechainRmsdFilter::res2_

private

Referenced by compute(), and parse_my_tag().

◆ rmsd_threshold_

core::Real protocols::simple_filters::SidechainRmsdFilter::rmsd_threshold_

private

Referenced by apply(), and parse_my_tag().

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

src/protocols/simple_filters/SidechainRmsdFilter.hh
src/protocols/simple_filters/SidechainRmsdFilter.cc