Rosetta: protocols::ligand_docking::HBondDonorFilter Class Reference

Rosetta

#include <HBondDonorFilter.hh>

Inheritance diagram for protocols::ligand_docking::HBondDonorFilter:

Inheritance graph

[legend]

Public Member Functions
	HBondDonorFilter ()

	HBondDonorFilter (std::string const &chain, core::Size hbond_donor_limit)

	HBondDonorFilter (HBondDonorFilter const &)=default

	~HBondDonorFilter () override=default

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

protocols::filters::FilterOP	clone () const override

protocols::filters::FilterOP	fresh_instance () const 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 void	report (std::ostream &, core::pose::Pose const &) const

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

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	chain_

core::Size	hbond_donor_limit_

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

Constructor & Destructor Documentation

◆ HBondDonorFilter() [1/3]

protocols::ligand_docking::HBondDonorFilter::HBondDonorFilter ( )

inline

◆ HBondDonorFilter() [2/3]

protocols::ligand_docking::HBondDonorFilter::HBondDonorFilter	(	std::string const &	chain,
		core::Size	hbond_donor_limit
	)

inline

◆ HBondDonorFilter() [3/3]

protocols::ligand_docking::HBondDonorFilter::HBondDonorFilter ( HBondDonorFilter const & )

default

◆ ~HBondDonorFilter()

protocols::ligand_docking::HBondDonorFilter::~HBondDonorFilter ( )

overridedefault

Member Function Documentation

◆ apply()

bool protocols::ligand_docking::HBondDonorFilter::apply ( core::pose::Pose const & pose ) const

overridevirtual

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

Implements protocols::filters::Filter.

References chain_, core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::sequence::end, core::pose::get_chain_id_from_chain(), hbond_donor_limit_, protocols::ligand_docking::hbond_donor_tracer(), and core::pose::num_hbond_donors().

◆ class_name()

std::string protocols::ligand_docking::HBondDonorFilter::class_name ( )

static

Referenced by protocols::ligand_docking::HBondDonorFilterCreator::keyname(), name(), and provide_xml_schema().

◆ clone()

protocols::filters::FilterOP protocols::ligand_docking::HBondDonorFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ fresh_instance()

protocols::filters::FilterOP protocols::ligand_docking::HBondDonorFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

◆ name()

std::string protocols::ligand_docking::HBondDonorFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

◆ parse_my_tag()

void protocols::ligand_docking::HBondDonorFilter::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 chain_, and hbond_donor_limit_.

◆ provide_xml_schema()

void protocols::ligand_docking::HBondDonorFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

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

Referenced by protocols::ligand_docking::HBondDonorFilterCreator::provide_xml_schema().

Member Data Documentation

◆ chain_

std::string protocols::ligand_docking::HBondDonorFilter::chain_

private

Referenced by apply(), and parse_my_tag().

◆ hbond_donor_limit_

core::Size protocols::ligand_docking::HBondDonorFilter::hbond_donor_limit_

private

Referenced by apply(), and parse_my_tag().

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

src/protocols/ligand_docking/HBondDonorFilter.hh
src/protocols/ligand_docking/HBondDonorFilter.cc