protocols::ligand_docking::HeavyAtomFilter Class Reference

#include <HeavyAtomFilter.hh>

Inheritance diagram for protocols::ligand_docking::HeavyAtomFilter:

Public Member Functions
	HeavyAtomFilter ()
	HeavyAtomFilter (std::string const &chain, core::Size heavy_atom_limit)
	HeavyAtomFilter (HeavyAtomFilter const &init)
	~HeavyAtomFilter () 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
core::Real	report_sm (core::pose::Pose const &) const override
	used to report filter internals through a score or silent file More...
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 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	heavy_atom_limit_

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

Constructor & Destructor Documentation

HeavyAtomFilter() [1/3]

protocols::ligand_docking::HeavyAtomFilter::HeavyAtomFilter ( )

inline

HeavyAtomFilter() [2/3]

protocols::ligand_docking::HeavyAtomFilter::HeavyAtomFilter ( std::string const &  chain, core::Size  heavy_atom_limit  )

inline

HeavyAtomFilter() [3/3]

protocols::ligand_docking::HeavyAtomFilter::HeavyAtomFilter ( HeavyAtomFilter const &  init )

inline

~HeavyAtomFilter()

protocols::ligand_docking::HeavyAtomFilter::~HeavyAtomFilter ( )

overridedefault

Member Function Documentation

apply()

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

overridevirtual

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

Implements protocols::filters::Filter.

References heavy_atom_limit_, protocols::ligand_docking::heavy_atom_tracer(), and report_sm().

class_name()

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

static

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

clone()

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

inlineoverridevirtual

Implements protocols::filters::Filter.

fresh_instance()

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

inlineoverridevirtual

Implements protocols::filters::Filter.

name()

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

overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

parse_my_tag()

void protocols::ligand_docking::HeavyAtomFilter::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 heavy_atom_limit_.

provide_xml_schema()

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

static

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

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

report_sm()

core::Real protocols::ligand_docking::HeavyAtomFilter::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 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(), heavy_atom_limit_, core::pose::num_heavy_atoms(), and protocols::loops::start.

Referenced by apply().

Member Data Documentation

chain_

std::string protocols::ligand_docking::HeavyAtomFilter::chain_

private

Referenced by parse_my_tag(), and report_sm().

heavy_atom_limit_

core::Size protocols::ligand_docking::HeavyAtomFilter::heavy_atom_limit_

private

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

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

• src/protocols/ligand_docking/HeavyAtomFilter.hh
• src/protocols/ligand_docking/HeavyAtomFilter.cc