#include <CavityVolumeFilter.hh>

Inheritance diagram for protocols::denovo_design::filters::CavityVolumeFilter:

Public Member Functions
	CavityVolumeFilter ()
	Initialize CavityVolumeFilter. More...

	~CavityVolumeFilter () override
	virtual constructor to allow derivation More...

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override
	Parses the CavityVolumeFilter tags. More...

virtual std::string	get_name () const
	Return the name of this mover. More...

protocols::filters::FilterOP	clone () const override
	return a fresh instance of this class in an owning pointer More...

protocols::filters::FilterOP	fresh_instance () const override
	Apply the CavityVolumeFilter. Overloaded apply function from filter base class. 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...

bool	apply (core::pose::Pose const &pose) const override
	Does the CavityVolume Filtering. More...

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

std::string	name () const override

void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const override
	Provide the citation. More...

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)

Static Public Member Functions
static std::string	class_name ()

static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

Private Attributes
core::select::residue_selector::ResidueSelectorCOP	selector_
	residue selector to choose residues near which to scan More...

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

Constructor & Destructor Documentation

◆ CavityVolumeFilter()

protocols::denovo_design::filters::CavityVolumeFilter::CavityVolumeFilter ( )

Initialize CavityVolumeFilter.

CavityVolumeFilter main code:

◆ ~CavityVolumeFilter()

protocols::denovo_design::filters::CavityVolumeFilter::~CavityVolumeFilter ( )

overridedefault

virtual constructor to allow derivation

destructor - this class has no dynamic allocation, so / nothing needs to be cleaned. C++ will take care of that for us.

Member Function Documentation

◆ apply()

bool protocols::denovo_design::filters::CavityVolumeFilter::apply ( core::pose::Pose const & pose ) const

overridevirtual

Does the CavityVolume Filtering.

Implements protocols::filters::Filter.

References report_sm().

◆ class_name()

std::string protocols::denovo_design::filters::CavityVolumeFilter::class_name ( )

static

Referenced by protocols::denovo_design::filters::CavityVolumeFilterCreator::keyname(), name(), provide_citation_info(), and provide_xml_schema().

◆ clone()

protocols::filters::FilterOP protocols::denovo_design::filters::CavityVolumeFilter::clone ( ) const

overridevirtual

return a fresh instance of this class in an owning pointer

Return a copy of ourselves.

Implements protocols::filters::Filter.

◆ compute()

core::Real protocols::denovo_design::filters::CavityVolumeFilter::compute ( core::pose::Pose const & pose ) const

References core::conformation::membrane::center, protocols::denovo_design::calculators::CavityCalculator::clone(), core::sequence::end, core::pose::metrics::CalculatorFactory::Instance(), core::pose::Pose::metric(), core::conformation::Residue::nbr_atom_xyz(), core::pose::metrics::CalculatorFactory::register_calculator(), core::pose::Pose::residue(), selector_, and protocols::TR().

Referenced by report(), and report_sm().

◆ fresh_instance()

protocols::filters::FilterOP protocols::denovo_design::filters::CavityVolumeFilter::fresh_instance ( ) const

overridevirtual

Apply the CavityVolumeFilter. Overloaded apply function from filter base class.

Implements protocols::filters::Filter.

◆ get_name()

std::string protocols::denovo_design::filters::CavityVolumeFilter::get_name ( ) const

virtual

Return the name of this mover.

◆ name()

std::string protocols::denovo_design::filters::CavityVolumeFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::denovo_design::filters::CavityVolumeFilter::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	data
	)

overridevirtual

Parses the CavityVolumeFilter tags.

Reimplemented from protocols::filters::Filter.

References core::select::residue_selector::get_residue_selector(), and selector_.

◆ provide_citation_info()

void protocols::denovo_design::filters::CavityVolumeFilter::provide_citation_info ( basic::citation_manager::CitationCollectionList & citations ) const

overridevirtual

Provide the citation.

Reimplemented from protocols::filters::Filter.

References class_name().