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protocols::denovo_design::residue_selectors::NamedSegmentSelector Class Reference

Selects residues from a named segment generated by StructureArchitects. More...

#include <NamedSegmentSelector.hh>

Inheritance diagram for protocols::denovo_design::residue_selectors::NamedSegmentSelector:
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Public Types

typedef components::SegmentResid SignedResid
 
typedef std::set< SignedResidSignedResidSet
 
typedef
core::select::residue_selector::ResidueRanges 
ResidueRanges
 
typedef
core::select::residue_selector::ResidueSubset 
ResidueSubset
 
typedef
core::select::residue_selector::ResidueSelectorOP 
ResidueSelectorOP
 

Public Member Functions

 NamedSegmentSelector ()
 Constructor. More...
 
 NamedSegmentSelector (SegmentName const &segment_name, std::string const &residues_str)
 
 ~NamedSegmentSelector () override
 Destructor. More...
 
ResidueSelectorOP clone () const override
 Clone operator. More...
 
ResidueSubset apply (core::pose::Pose const &pose) const override
 "Apply" function. More...
 
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...
 
void set_segment (SegmentName const &segment_name)
 
void set_residues (std::string const &residues_str)
 
void set_error_on_missing_segment (bool const error_on_missing)
 
- 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 Member Functions

SignedResidSet resid_set () const
 
void compute_residue_subset_for_segment (ResidueSubset &subset, components::Segment const &seg, SignedResidSet const &resids) const
 Computes residue subset from a Segment and list of resids. More...
 
ResidueSubset compute_residue_subset (components::StructureData const &sd, SignedResidSet const &resids) const
 Computes residue subset from a StructureData and list of resids. More...
 

Private Attributes

SegmentName segment_
 
std::string residues_
 
bool error_on_missing_segment_
 

Detailed Description

Selects residues from a named segment generated by StructureArchitects.

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::denovo_design::residue_selectors::NamedSegmentSelector::NamedSegmentSelector ( )

Constructor.

protocols::denovo_design::residue_selectors::NamedSegmentSelector::NamedSegmentSelector ( SegmentName const &  segment_name,
std::string const &  residues_str 
)
protocols::denovo_design::residue_selectors::NamedSegmentSelector::~NamedSegmentSelector ( )
overridedefault

Destructor.

Member Function Documentation

NamedSegmentSelector::ResidueSubset protocols::denovo_design::residue_selectors::NamedSegmentSelector::apply ( core::pose::Pose const &  pose) const
overridevirtual
std::string protocols::denovo_design::residue_selectors::NamedSegmentSelector::class_name ( )
static
NamedSegmentSelector::ResidueSelectorOP protocols::denovo_design::residue_selectors::NamedSegmentSelector::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.

NamedSegmentSelector::ResidueSubset protocols::denovo_design::residue_selectors::NamedSegmentSelector::compute_residue_subset ( components::StructureData const &  sd,
SignedResidSet const &  resids 
) const
private
void protocols::denovo_design::residue_selectors::NamedSegmentSelector::compute_residue_subset_for_segment ( ResidueSubset subset,
components::Segment const &  seg,
SignedResidSet const &  resids 
) const
private

Computes residue subset from a Segment and list of resids.

Parameters
[out]subsetResidueSubset to be modified
[in]sdStructureData object
[in]residsList of signed residue numbers, can be empty if the entire segment is being selected

References protocols::denovo_design::components::Segment::lower(), protocols::denovo_design::components::Segment::segment_to_pose(), and protocols::denovo_design::components::Segment::upper().

Referenced by compute_residue_subset().

std::string protocols::denovo_design::residue_selectors::NamedSegmentSelector::get_name ( ) const
overridevirtual

Get the mover class name.

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

References class_name().

void protocols::denovo_design::residue_selectors::NamedSegmentSelector::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  datamap 
)
overridevirtual
void protocols::denovo_design::residue_selectors::NamedSegmentSelector::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
NamedSegmentSelector::SignedResidSet protocols::denovo_design::residue_selectors::NamedSegmentSelector::resid_set ( ) const
private
void protocols::denovo_design::residue_selectors::NamedSegmentSelector::set_error_on_missing_segment ( bool const  error_on_missing)
inline

References error_on_missing_segment_.

Referenced by parse_my_tag().

void protocols::denovo_design::residue_selectors::NamedSegmentSelector::set_residues ( std::string const &  residues_str)

References residues_.

Referenced by parse_my_tag().

void protocols::denovo_design::residue_selectors::NamedSegmentSelector::set_segment ( SegmentName const &  segment_name)

References segment_.

Referenced by parse_my_tag().

Member Data Documentation

bool protocols::denovo_design::residue_selectors::NamedSegmentSelector::error_on_missing_segment_
private
std::string protocols::denovo_design::residue_selectors::NamedSegmentSelector::residues_
private
SegmentName protocols::denovo_design::residue_selectors::NamedSegmentSelector::segment_
private

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