protocols::drug_design::HeteroHeteroBondFilter Class Reference

#include <HeteroHeteroBondFilter.hh>

Inheritance diagram for protocols::drug_design::HeteroHeteroBondFilter:

Public Member Functions
	HeteroHeteroBondFilter ()
	HeteroHeteroBondFilter (std::string const &residue, core::Size threshold, bool exclude_ates=true)
void	residue (std::string const &residue)
std::string const &	residue () const
void	threshold (core::Size setting)
core::Size	threshold () const
void	exclude_ates (bool setting)
bool	exclude_ates () const
bool	apply (core::pose::Pose const &pose) const override
	Returns true if the given pose passes the filter, false otherwise. More...
filters::FilterOP	clone () const override
filters::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...
core::Size	compute (core::pose::Pose const &pose) const
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...
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 std::string	name () const
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	residue_
core::Size	threshold_
bool	exclude_ates_

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

Constructor & Destructor Documentation

HeteroHeteroBondFilter() [1/2]

protocols::drug_design::HeteroHeteroBondFilter::HeteroHeteroBondFilter ( )

inline

Referenced by clone(), and fresh_instance().

HeteroHeteroBondFilter() [2/2]

protocols::drug_design::HeteroHeteroBondFilter::HeteroHeteroBondFilter ( std::string const &  residue, core::Size  threshold, bool  exclude_ates = true  )

inline

Member Function Documentation

apply()

bool protocols::drug_design::HeteroHeteroBondFilter::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(), residue_, threshold_, and protocols::drug_design::TR().

class_name()

std::string protocols::drug_design::HeteroHeteroBondFilter::class_name ( )

static

Referenced by protocols::drug_design::HeteroHeteroBondFilterCreator::keyname(), and provide_xml_schema().

clone()

filters::FilterOP protocols::drug_design::HeteroHeteroBondFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

References HeteroHeteroBondFilter().

compute()

core::Size protocols::drug_design::HeteroHeteroBondFilter::compute

(

core::pose::Pose const &

pose

)

const

References core::chemical::ResidueType::bond_type(), core::chemical::ResidueType::bonded_neighbor(), core::chemical::ResidueType::bonds(), core::chemical::element::C, core::chemical::DoubleBond, core::chemical::ResidueType::element(), exclude_ates_, core::chemical::element::H, core::chemical::ResidueTypeBase::name(), protocols::sic_dock::scores::nbr1(), protocols::sic_dock::scores::nbr2(), core::chemical::element::O, core::pose::parse_resnum(), core::pose::Pose::residue(), residue_, core::pose::Pose::total_residue(), protocols::drug_design::TR(), and core::conformation::Residue::type().

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

exclude_ates() [1/2]

bool protocols::drug_design::HeteroHeteroBondFilter::exclude_ates ( ) const

inline

References exclude_ates_.

exclude_ates() [2/2]

void protocols::drug_design::HeteroHeteroBondFilter::exclude_ates ( bool  setting )

inline

References exclude_ates_.

fresh_instance()

filters::FilterOP protocols::drug_design::HeteroHeteroBondFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

References HeteroHeteroBondFilter().

parse_my_tag()

void protocols::drug_design::HeteroHeteroBondFilter::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 exclude_ates_, residue_, threshold_, and protocols::drug_design::TR().

provide_xml_schema()

void protocols::drug_design::HeteroHeteroBondFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

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

Referenced by protocols::drug_design::HeteroHeteroBondFilterCreator::provide_xml_schema().

report()

void protocols::drug_design::HeteroHeteroBondFilter::report ( std::ostream &  out, core::pose::Pose const &  pose  ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References compute(), core::conformation::membrane::out, and residue_.

report_sm()

core::Real protocols::drug_design::HeteroHeteroBondFilter::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().

residue() [1/2]

std::string const& protocols::drug_design::HeteroHeteroBondFilter::residue ( ) const

inline

References residue_.

residue() [2/2]

void protocols::drug_design::HeteroHeteroBondFilter::residue ( std::string const &  residue )

inline

References residue(), and residue_.

Referenced by residue().

threshold() [1/2]

core::Size protocols::drug_design::HeteroHeteroBondFilter::threshold ( ) const

inline

References threshold_.

threshold() [2/2]

void protocols::drug_design::HeteroHeteroBondFilter::threshold ( core::Size  setting )

inline

References threshold_.

Member Data Documentation

exclude_ates_

bool protocols::drug_design::HeteroHeteroBondFilter::exclude_ates_

private

Referenced by compute(), exclude_ates(), and parse_my_tag().

residue_

std::string protocols::drug_design::HeteroHeteroBondFilter::residue_

private

Referenced by apply(), compute(), parse_my_tag(), report(), and residue().

threshold_

core::Size protocols::drug_design::HeteroHeteroBondFilter::threshold_

private

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

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

• src/protocols/drug_design/HeteroHeteroBondFilter.hh
• src/protocols/drug_design/HeteroHeteroBondFilter.cc