core::chemical::ResidueSelector Class Reference

A class picking out a subset of ResidueType by multiple criteria. More...

#include <ResidueSelector.hh>

Inheritance diagram for core::chemical::ResidueSelector:

Collaboration diagram for core::chemical::ResidueSelector:

Public Member Functions
virtual	~ResidueSelector ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
bool	operator[] (ResidueType const &rsd) const
	[] operator: selector[ResidueType] => yes or no More...
ResidueSelector &	add_line (std::string const &line)
	add a new selector single More...
ResidueSelector &	clear ()
	reset More...
ResidueSelector &	set_name1 (char const n)
ResidueSelector &	set_aa (AA const aa)
ResidueSelector &	set_property (std::string const property)
ResidueSelector &	exclude_variants ()
ResidueSelector &	match_variants (ResidueType const &rsd_type_to_match)
ResidueTypeCOPs	select (ResidueTypeSet const &rsd_set)

Private Attributes
utility::vector1 < ResidueSelectorSingleOP >	selectors_
	a vector of single ResidueSelector More...

Detailed Description

A class picking out a subset of ResidueType by multiple criteria.

Definition at line 320 of file ResidueSelector.hh.

Constructor & Destructor Documentation

core::chemical::ResidueSelector::~ResidueSelector ( )

virtual

Automatically generated virtual destructor for class deriving directly from ReferenceCount.

Auto-generated virtual destructor

Definition at line 48 of file ResidueSelector.cc.

Member Function Documentation

ResidueSelector& core::chemical::ResidueSelector::add_line ( std::string const &  line)

inline

add a new selector single

Definition at line 338 of file ResidueSelector.hh.

References core::chemical::residue_selector_single_from_line(), and selectors_.

Referenced by core::chemical::Patch::read_file().

ResidueSelector& core::chemical::ResidueSelector::clear ( )

inline

reset

Definition at line 352 of file ResidueSelector.hh.

References selectors_.

Referenced by core::chemical::Patch::read_file().

ResidueSelector& core::chemical::ResidueSelector::exclude_variants ( )

inline

Definition at line 386 of file ResidueSelector.hh.

References selectors_.

ResidueSelector& core::chemical::ResidueSelector::match_variants ( ResidueType const &  rsd_type_to_match)

inline

Definition at line 394 of file ResidueSelector.hh.

References selectors_, and core::chemical::ResidueType::variant_types().

bool core::chemical::ResidueSelector::operator[] ( ResidueType const &  rsd) const

inline

[] operator: selector[ResidueType] => yes or no

Definition at line 327 of file ResidueSelector.hh.

References selectors_.

ResidueTypeCOPs core::chemical::ResidueSelector::select

(

ResidueTypeSet const &

rsd_set)

Definition at line 119 of file ResidueSelector.cc.

References core::chemical::ResidueTypeSet::residue_types().

Referenced by protocols::ligand_docking::LigandDesign::set_fragments(), and protocols::ligand_docking::GrowLigand::set_fragments().

ResidueSelector& core::chemical::ResidueSelector::set_aa ( AA const  aa)

inline

Definition at line 368 of file ResidueSelector.hh.

References selectors_.

ResidueSelector& core::chemical::ResidueSelector::set_name1 ( char const  n)

inline

Definition at line 360 of file ResidueSelector.hh.

References selectors_.

ResidueSelector& core::chemical::ResidueSelector::set_property ( std::string const  property)

inline

Definition at line 377 of file ResidueSelector.hh.

References selectors_.

Referenced by protocols::ligand_docking::LigandDesign::set_fragments(), and protocols::ligand_docking::GrowLigand::set_fragments().

Member Data Documentation

utility::vector1< ResidueSelectorSingleOP > core::chemical::ResidueSelector::selectors_

private

a vector of single ResidueSelector

Definition at line 407 of file ResidueSelector.hh.

Referenced by add_line(), clear(), exclude_variants(), match_variants(), operator[](), set_aa(), set_name1(), and set_property().

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

• src/core/chemical/ResidueSelector.hh
• src/core/chemical/ResidueSelector.cc