Rosetta: protocols::enzdes::DiffAtomSasaFilter Class Reference

Rosetta

#include <EnzFilters.hh>

Inheritance diagram for protocols::enzdes::DiffAtomSasaFilter:

Inheritance graph

[legend]

Public Types
typedef protocols::filters::Filter	Filter

typedef protocols::filters::FilterOP	FilterOP

Public Member Functions
	DiffAtomSasaFilter ()

	DiffAtomSasaFilter (std::string const &resid1, std::string const &resid2, std::string const &atomname1, std::string const &atomane2, std::string const &sample_type)

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

FilterOP	clone () const override

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...

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

	~DiffAtomSasaFilter () 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	resid1_

std::string	resid2_

std::string	aname1_

std::string	aname2_

std::string	sample_type_

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

Member Typedef Documentation

◆ Filter

typedef protocols::filters::Filter protocols::enzdes::DiffAtomSasaFilter::Filter

◆ FilterOP

typedef protocols::filters::FilterOP protocols::enzdes::DiffAtomSasaFilter::FilterOP

Constructor & Destructor Documentation

◆ DiffAtomSasaFilter() [1/2]

protocols::enzdes::DiffAtomSasaFilter::DiffAtomSasaFilter ( )

inline

◆ DiffAtomSasaFilter() [2/2]

protocols::enzdes::DiffAtomSasaFilter::DiffAtomSasaFilter	(	std::string const &	resid1,
		std::string const &	resid2,
		std::string const &	atomname1,
		std::string const &	atomane2,
		std::string const &	sample_type
	)

◆ ~DiffAtomSasaFilter()

protocols::enzdes::DiffAtomSasaFilter::~DiffAtomSasaFilter ( )

overridedefault

Member Function Documentation

◆ apply()

bool protocols::enzdes::DiffAtomSasaFilter::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(), and protocols::enzdes::TR().

◆ class_name()

std::string protocols::enzdes::DiffAtomSasaFilter::class_name ( )

static

Referenced by protocols::enzdes::DiffAtomSasaFilterCreator::keyname(), protocols::enzdes::LigDSasaFilter::name(), protocols::enzdes::LigBurialFilter::name(), protocols::enzdes::LigInterfaceEnergyFilter::name(), protocols::enzdes::EnzScoreFilter::name(), name(), protocols::enzdes::RepackWithoutLigandFilter::name(), protocols::enzdes::EnzdesScorefileFilter::name(), protocols::enzdes::ResidueConformerFilter::name(), protocols::enzdes::LigDSasaFilter::provide_xml_schema(), protocols::enzdes::LigBurialFilter::provide_xml_schema(), protocols::enzdes::LigInterfaceEnergyFilter::provide_xml_schema(), protocols::enzdes::EnzScoreFilter::provide_xml_schema(), provide_xml_schema(), protocols::enzdes::RepackWithoutLigandFilter::provide_xml_schema(), protocols::enzdes::EnzdesScorefileFilter::provide_xml_schema(), and protocols::enzdes::ResidueConformerFilter::provide_xml_schema().

◆ clone()

FilterOP protocols::enzdes::DiffAtomSasaFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ compute()

bool protocols::enzdes::DiffAtomSasaFilter::compute ( core::pose::Pose const & pose ) const

References aname1_, aname2_, core::conformation::Residue::atom_index(), protocols::ligand_docking::LigandBaseProtocol::get_ligand_id(), core::conformation::Residue::has(), core::pose::Pose::metric(), core::pose::parse_resnum(), resid1_, resid2_, core::pose::Pose::residue(), sample_type_, core::pose::Pose::size(), and protocols::enzdes::TR().

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

◆ fresh_instance()

FilterOP protocols::enzdes::DiffAtomSasaFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ name()

std::string protocols::enzdes::DiffAtomSasaFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::enzdes::DiffAtomSasaFilter::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 aname1_, aname2_, core::pose::get_resnum_string(), resid1_, resid2_, sample_type_, and protocols::enzdes::TR().

◆ provide_xml_schema()

void protocols::enzdes::DiffAtomSasaFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

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

Referenced by protocols::enzdes::DiffAtomSasaFilterCreator::provide_xml_schema().

◆ report()

void protocols::enzdes::DiffAtomSasaFilter::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::enzdes::DiffAtomSasaFilter::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

◆ aname1_

std::string protocols::enzdes::DiffAtomSasaFilter::aname1_

private

Referenced by compute(), and parse_my_tag().

◆ aname2_

std::string protocols::enzdes::DiffAtomSasaFilter::aname2_

private

Referenced by compute(), and parse_my_tag().

◆ resid1_

std::string protocols::enzdes::DiffAtomSasaFilter::resid1_

private

Referenced by compute(), and parse_my_tag().

◆ resid2_

std::string protocols::enzdes::DiffAtomSasaFilter::resid2_

private

Referenced by compute(), and parse_my_tag().

◆ sample_type_

std::string protocols::enzdes::DiffAtomSasaFilter::sample_type_

private

Referenced by compute(), and parse_my_tag().

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

src/protocols/enzdes/EnzFilters.hh
src/protocols/enzdes/EnzFilters.cc