core::select::residue_selector::CloseContactResidueSelector Class Reference

A class that finds the neighboring residues for a particular residue by looking at atom-atom distances. More...

#include <CloseContactResidueSelector.hh>

Inheritance diagram for core::select::residue_selector::CloseContactResidueSelector:

Public Types
typedef core::select::residue_selector::ResidueSelectorOP	ResidueSelectorOP
typedef core::select::residue_selector::ResidueSubset	ResidueSubset

Public Member Functions
	CloseContactResidueSelector ()
	Constructor. More...
	CloseContactResidueSelector (CloseContactResidueSelector const &src)
	Copy Constructor. Usually not necessary unless you need deep copying (e.g. OPs) More...
	~CloseContactResidueSelector () override
	Destructor. More...
ResidueSelectorOP	clone () const override
	Clone operator. More...
ResidueSubset	apply (core::pose::Pose const &pose) const override
	"Apply" function. More...
void	central_residue_group_selector (ResidueSelectorCOP selector)
void	threshold (core::Real contact_threshold)
core::Real	threshold () const
void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &datamap) override
	XML parse. More...
std::string	get_name () const override
	Get the mover class name. More...
Public Member Functions inherited from core::select::residue_selector::ResidueSelector
	ResidueSelector ()
	Constructor. More...
	~ResidueSelector () override
	Destructor. More...
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 ()
	Get the mover class name. More...
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
	Provide XSD information, enabling mechanical validation of input XML. More...

Private Attributes
core::Real	close_contact_threshold_
ResidueSelectorCOP	central_residues_selector_

Detailed Description

A class that finds the neighboring residues for a particular residue by looking at atom-atom distances.

Member Typedef Documentation

typedef core::select::residue_selector::ResidueSelectorOP core::select::residue_selector::CloseContactResidueSelector::ResidueSelectorOP

typedef core::select::residue_selector::ResidueSubset core::select::residue_selector::CloseContactResidueSelector::ResidueSubset

Constructor & Destructor Documentation

core::select::residue_selector::CloseContactResidueSelector::CloseContactResidueSelector

(

)

Constructor.

core::select::residue_selector::CloseContactResidueSelector::CloseContactResidueSelector ( CloseContactResidueSelector const &  src )

default

Copy Constructor. Usually not necessary unless you need deep copying (e.g. OPs)

core::select::residue_selector::CloseContactResidueSelector::~CloseContactResidueSelector ( )

overridedefault

Destructor.

Member Function Documentation

CloseContactResidueSelector::ResidueSubset core::select::residue_selector::CloseContactResidueSelector::apply ( core::pose::Pose const &  pose ) const

overridevirtual

"Apply" function.

Given the pose, generate a vector of bools with entries for every residue in the pose indicating whether each residue is selected ("true") or not ("false").

Implements core::select::residue_selector::ResidueSelector.

References central_residues_selector_, close_contact_threshold_, core::kinematics::tree::distance_squared(), core::conformation::Residue::nbr_radius(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), core::select::residue_selector::TR(), and core::conformation::Residue::xyz().

void core::select::residue_selector::CloseContactResidueSelector::central_residue_group_selector

(

ResidueSelectorCOP

selector

)

References central_residues_selector_.

Referenced by parse_my_tag().

std::string core::select::residue_selector::CloseContactResidueSelector::class_name ( )

static

Get the mover class name.

Referenced by get_name(), core::select::residue_selector::CloseContactResidueSelectorCreator::keyname(), parse_my_tag(), and provide_xml_schema().

CloseContactResidueSelector::ResidueSelectorOP core::select::residue_selector::CloseContactResidueSelector::clone ( ) const

overridevirtual

Clone operator.

Clone function.

Copy the current object (creating the copy on the heap) and return an owning pointer to the copy. All ResidueSelectors must implement this.

Copy this object and return owning pointer to the copy (created on the heap).

Implements core::select::residue_selector::ResidueSelector.

std::string core::select::residue_selector::CloseContactResidueSelector::get_name ( ) const

overridevirtual

Get the mover class name.

Implements core::select::residue_selector::ResidueSelector.

References class_name().

void core::select::residue_selector::CloseContactResidueSelector::parse_my_tag ( utility::tag::TagCOP  tag, basic::datacache::DataMap &  datamap  )

overridevirtual

XML parse.

Parse RosettaScripts tags and set up this mover.

Reimplemented from core::select::residue_selector::ResidueSelector.

References central_residue_group_selector(), class_name(), core::select::residue_selector::get_residue_selector(), and threshold().

void core::select::residue_selector::CloseContactResidueSelector::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

Provide XSD information, enabling mechanical validation of input XML.

References core::select::residue_selector::attributes_for_parse_residue_selector(), class_name(), and core::select::residue_selector::xsd_type_definition_w_attributes_and_optional_subselector().

Referenced by core::select::residue_selector::CloseContactResidueSelectorCreator::provide_xml_schema().

void core::select::residue_selector::CloseContactResidueSelector::threshold

(

core::Real

contact_threshold

)

References close_contact_threshold_.

core::Real core::select::residue_selector::CloseContactResidueSelector::threshold

(

)

const

References close_contact_threshold_.

Referenced by parse_my_tag().

Member Data Documentation

ResidueSelectorCOP core::select::residue_selector::CloseContactResidueSelector::central_residues_selector_

private

Referenced by apply(), and central_residue_group_selector().

core::Real core::select::residue_selector::CloseContactResidueSelector::close_contact_threshold_

private

Referenced by apply(), and threshold().

---

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

• src/core/select/residue_selector/CloseContactResidueSelector.hh
• src/core/select/residue_selector/CloseContactResidueSelector.cc