#include <InterfaceBindingEnergyDensityFilter.hh>

Inheritance diagram for protocols::simple_ddg::InterfaceBindingEnergyDensityFilter:

Public Member Functions
	InterfaceBindingEnergyDensityFilter ()

	InterfaceBindingEnergyDensityFilter (protocols::simple_filters::InterfaceSasaFilterOP sasa_filter, DdgFilterOP ddG_filter, core::Real threshold)

	~InterfaceBindingEnergyDensityFilter () override

void	set_interface_sasa_filter (protocols::simple_filters::InterfaceSasaFilterOP sasa_filter)

void	set_ddG_filter (DdgFilterOP ddG_filter)

void	set_upper_threshold (core::Real 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

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &) override

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 bool	filter_provides_citation_info () const
	Does this filter provide information about how to cite it? More...

virtual utility::vector1 < basic::citation_manager::CitationCollectionCOP >	provide_citation_info () const
	Provide the citation. More...

virtual bool	filter_is_unpublished () const
	Does this filter indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...

virtual utility::vector1 < basic::citation_manager::UnpublishedModuleInfoCOP >	provide_authorship_info_for_unpublished () const
	Provide a list of authors and their e-mail addresses, as strings. More...

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

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

Private Attributes
protocols::simple_filters::InterfaceSasaFilterOP	sasa_filter_

DdgFilterOP	ddG_filter_

core::Real	upper_threshold_

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

Constructor & Destructor Documentation

protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::InterfaceBindingEnergyDensityFilter ( )

protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::InterfaceBindingEnergyDensityFilter	(	protocols::simple_filters::InterfaceSasaFilterOP	sasa_filter,
		DdgFilterOP	ddG_filter,
		core::Real	threshold
	)

protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::~InterfaceBindingEnergyDensityFilter ( )

overridedefault

Member Function Documentation

bool protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::apply ( core::pose::Pose const & pose ) const

overridevirtual

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

Implements protocols::filters::Filter.

References ddG_filter_, sasa_filter_, protocols::simple_ddg::TR(), and upper_threshold_.

std::string protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::class_name ( )

static

Referenced by protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator::keyname(), name(), and provide_xml_schema().

filters::FilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::clone ( ) const

overridevirtual

Implements protocols::filters::Filter.

core::Real protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::compute ( core::pose::Pose const & pose ) const

References ddG_filter_, and sasa_filter_.

filters::FilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::fresh_instance ( ) const

overridevirtual

Implements protocols::filters::Filter.

std::string protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	,
		filters::Filters_map const &	filters_map,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &
	)

overridevirtual

Reimplemented from protocols::filters::Filter.

References ddG_filter_, sasa_filter_, and upper_threshold_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

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

Referenced by protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator::provide_xml_schema().

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::report	(	std::ostream &	out,
		core::pose::Pose const &	pose
	)		const

overridevirtual

Reimplemented from protocols::filters::Filter.

References ddG_filter_, and sasa_filter_.

core::Real protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::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 ddG_filter_, and sasa_filter_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_ddG_filter ( DdgFilterOP ddG_filter )

References ddG_filter_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_interface_sasa_filter ( protocols::simple_filters::InterfaceSasaFilterOP sasa_filter )

References sasa_filter_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_upper_threshold ( core::Real threshold )

References upper_threshold_.

Member Data Documentation

DdgFilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::ddG_filter_

private

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

protocols::simple_filters::InterfaceSasaFilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::sasa_filter_

private

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

core::Real protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::upper_threshold_

private

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

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

src/protocols/simple_ddg/InterfaceBindingEnergyDensityFilter.hh
src/protocols/simple_ddg/InterfaceBindingEnergyDensityFilter.cc

Public Member Functions

Static Public Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation