protocols::protein_interface_design::filters::HbondsToAtomFilter Class Reference

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class More...

#include <HbondsToAtomFilter.hh>

Inheritance diagram for protocols::protein_interface_design::filters::HbondsToAtomFilter:

Public Types
typedef core::Real	Real
typedef core::Size	Size

Public Member Functions
	HbondsToAtomFilter ()
	HbondsToAtomFilter (std::string const &resnum, core::Size const partners, Real const energy_cutoff=-0.5, bool const backbone=false, bool const sidechain=true)
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	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
	~HbondsToAtomFilter () 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 (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 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	resnum_
core::Size	partners_
Real	energy_cutoff_
std::string	atomdesg_
bool	backbone_
bool	sidechain_
bool	bb_bb_

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

Detailed Description

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class

Member Typedef Documentation

typedef core::Real protocols::protein_interface_design::filters::HbondsToAtomFilter::Real

typedef core::Size protocols::protein_interface_design::filters::HbondsToAtomFilter::Size

Constructor & Destructor Documentation

protocols::protein_interface_design::filters::HbondsToAtomFilter::HbondsToAtomFilter ( )

inline

protocols::protein_interface_design::filters::HbondsToAtomFilter::HbondsToAtomFilter ( std::string const &  resnum, core::Size const  partners, Real const  energy_cutoff = -0.5, bool const  backbone = false, bool const  sidechain = true  )

inline

References backbone_, energy_cutoff_, partners_, and sidechain_.

protocols::protein_interface_design::filters::HbondsToAtomFilter::~HbondsToAtomFilter ( )

overridedefault

Member Function Documentation

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::apply ( core::pose::Pose const &  pose ) const

overridevirtual

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

Implements protocols::filters::Filter.

References core::scoring::TR().

std::string protocols::protein_interface_design::filters::HbondsToAtomFilter::class_name ( )

static

protocols::filters::FilterOP protocols::protein_interface_design::filters::HbondsToAtomFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

core::Size protocols::protein_interface_design::filters::HbondsToAtomFilter::compute

(

core::pose::Pose const &

pose

)

const

References core::conformation::Conformation::chain_begin(), core::pose::Pose::conformation(), core::scoring::get_score_function(), protocols::protein_interface_design::hbonded_atom(), core::pose::parse_resnum(), and core::pose::Pose::size().

protocols::filters::FilterOP protocols::protein_interface_design::filters::HbondsToAtomFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

std::string protocols::protein_interface_design::filters::HbondsToAtomFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

void protocols::protein_interface_design::filters::HbondsToAtomFilter::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 core::pose::get_resnum_string(), and core::scoring::TR().

void protocols::protein_interface_design::filters::HbondsToAtomFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References core::pose::attributes_for_get_resnum_string(), and protocols::filters::xsd_type_definition_w_attributes().

void protocols::protein_interface_design::filters::HbondsToAtomFilter::report ( std::ostream &  out, core::pose::Pose const &  pose  ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

core::Real protocols::protein_interface_design::filters::HbondsToAtomFilter::report_sm ( core::pose::Pose const &  ) const

overridevirtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

Member Data Documentation

std::string protocols::protein_interface_design::filters::HbondsToAtomFilter::atomdesg_

private

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::backbone_

private

Referenced by HbondsToAtomFilter().

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::bb_bb_

private

Real protocols::protein_interface_design::filters::HbondsToAtomFilter::energy_cutoff_

private

Referenced by HbondsToAtomFilter().

core::Size protocols::protein_interface_design::filters::HbondsToAtomFilter::partners_

private

Referenced by HbondsToAtomFilter().

std::string protocols::protein_interface_design::filters::HbondsToAtomFilter::resnum_

private

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::sidechain_

private

Referenced by HbondsToAtomFilter().

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

• src/protocols/protein_interface_design/filters/HbondsToAtomFilter.hh
• src/protocols/protein_interface_design/filters/HbondsToAtomFilter.cc