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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:
Inheritance graph
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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

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
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
void core::select::residue_selector::CloseContactResidueSelector::threshold ( core::Real  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
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: