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Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
core::select::residue_selector::NumNeighborsSelector Class Reference

#include <NumNeighborsSelector.hh>

Inheritance diagram for core::select::residue_selector::NumNeighborsSelector:
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Public Member Functions

 NumNeighborsSelector ()
 
 NumNeighborsSelector (NumNeighborsSelector const &src)
 Copy constructor. More...
 
ResidueSelectorOP clone () const override
 Clone operator. More...
 
 NumNeighborsSelector (Size threshold, core::Real distance_cutoff)
 
 ~NumNeighborsSelector () override
 
ResidueSubset apply (core::pose::Pose const &pose) const override
 Return a ResidueSubset indicating a selection of Residues from the input Pose; the ResidueSubset is an array of booleans where a value of "true" for position i indicates that residue i is a part of the selected subset – and a value of "false" would indicate that it is not. More...
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &datamap) override
 Initialize any data members of this instance from an input tag and a DataMap object. More...
 
std::string get_name () const override
 
bool count_water () const
 
Size threshold () const
 
Real distance_cutoff () const
 
void count_water (bool setting)
 
void threshold (Size setting)
 
void distance_cutoff (Size setting)
 
- Public Member Functions inherited from core::select::residue_selector::ResidueSelector
 ResidueSelector ()
 Constructor. More...
 
 ~ResidueSelector () override
 Destructor. More...
 
virtual bool residue_selector_provides_citation_info () const
 Does this residue selector provide information about how to cite it? More...
 
virtual utility::vector1
< basic::citation_manager::CitationCollectionCOP > 
provide_citation_info () const
 Provide the citation. More...
 
virtual bool residue_selector_is_unpublished () const
 Does this residue selector indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...
 
virtual utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const
 Provide a list of authors and their e-mail addresses, as strings. More...
 

Static Public Member Functions

static std::string class_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Private Attributes

bool count_water_
 
Size threshold_
 
Real distance_cutoff_
 

Constructor & Destructor Documentation

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

Copy constructor.

core::select::residue_selector::NumNeighborsSelector::NumNeighborsSelector ( Size  threshold,
core::Real  distance_cutoff 
)
core::select::residue_selector::NumNeighborsSelector::~NumNeighborsSelector ( )
overridedefault

Member Function Documentation

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

Return a ResidueSubset indicating a selection of Residues from the input Pose; the ResidueSubset is an array of booleans where a value of "true" for position i indicates that residue i is a part of the selected subset – and a value of "false" would indicate that it is not.

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

References protocols::cluster::calibur::aa, core::chemical::ResidueTypeBase::aa(), core::chemical::aa_h2o, core::pose::Pose::conformation(), count_water_, distance_cutoff_, core::conformation::find_neighbors(), core::conformation::residue_point_graph_from_conformation(), core::pose::Pose::residue_type(), core::pose::Pose::size(), and threshold_.

std::string core::select::residue_selector::NumNeighborsSelector::class_name ( )
static
ResidueSelectorOP core::select::residue_selector::NumNeighborsSelector::clone ( ) const
overridevirtual

Clone operator.

Copy this object and return an owning pointer to the new object.

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

bool core::select::residue_selector::NumNeighborsSelector::count_water ( ) const

References count_water_.

Referenced by parse_my_tag().

void core::select::residue_selector::NumNeighborsSelector::count_water ( bool  setting)

References count_water_.

Real core::select::residue_selector::NumNeighborsSelector::distance_cutoff ( ) const

References distance_cutoff_.

void core::select::residue_selector::NumNeighborsSelector::distance_cutoff ( Size  setting)

References distance_cutoff_.

std::string core::select::residue_selector::NumNeighborsSelector::get_name ( ) const
overridevirtual
void core::select::residue_selector::NumNeighborsSelector::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  datacache 
)
overridevirtual

Initialize any data members of this instance from an input tag and a DataMap object.

Noop implementation in the base class in the case that a derived class has no need to read data from an input tag

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

References count_water(), distance_cutoff_, and threshold().

void core::select::residue_selector::NumNeighborsSelector::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
Size core::select::residue_selector::NumNeighborsSelector::threshold ( ) const

References threshold_.

Referenced by parse_my_tag().

void core::select::residue_selector::NumNeighborsSelector::threshold ( Size  setting)

References threshold_.

Member Data Documentation

bool core::select::residue_selector::NumNeighborsSelector::count_water_
private

Referenced by apply(), and count_water().

Real core::select::residue_selector::NumNeighborsSelector::distance_cutoff_
private
Size core::select::residue_selector::NumNeighborsSelector::threshold_
private

Referenced by apply(), and threshold().


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