core::id::NamedAtomID Class Reference

Atom identifier class. More...

#include <NamedAtomID.hh>

Collaboration diagram for core::id::NamedAtomID:

Public Member Functions
	NamedAtomID ()
	Default constructor. More...
	NamedAtomID (NamedAtomID const &src)
	Copy constructor. More...
	NamedAtomID (std::string const &atom_in, Size const rsd_in)
	Property constructor. More...
Size	rsd () const
Size &	rsd ()
std::string const &	atom () const
std::string &	atom ()
bool	valid () const
	Is this id valid? More...
std::string	to_string () const

Private Attributes
std::string	atom_
	Atom number within the Residue. More...
Size	rsd_
	Residue number within the complex. More...

Friends
std::ostream &	operator<< (std::ostream &os, NamedAtomID const &a)
	stream << NamedAtomID More...
std::istream &	operator>> (std::istream &is, NamedAtomID &e)
	input operator More...
bool	operator== (NamedAtomID const &a, NamedAtomID const &b)
	a and b are the same atom More...
bool	operator!= (NamedAtomID const &a, NamedAtomID const &b)
	a and b are different atom More...
bool	operator< (NamedAtomID const &a, NamedAtomID const &b)
	a is LOWER than b (e.g., first by smaller residue index number then by smaller atom index number) More...

Detailed Description

Atom identifier class.

Definition at line 43 of file NamedAtomID.hh.

Constructor & Destructor Documentation

core::id::NamedAtomID::NamedAtomID ( )

inline

Default constructor.

Definition at line 50 of file NamedAtomID.hh.

core::id::NamedAtomID::NamedAtomID ( NamedAtomID const &  src)

inline

Copy constructor.

Definition at line 57 of file NamedAtomID.hh.

core::id::NamedAtomID::NamedAtomID ( std::string const &  atom_in, Size const  rsd_in  )

inline

Property constructor.

Definition at line 64 of file NamedAtomID.hh.

Member Function Documentation

std::string const& core::id::NamedAtomID::atom ( ) const

inline

Definition at line 84 of file NamedAtomID.hh.

References atom_.

Referenced by protocols::noesy_assign::Resonance::_write_to_stream(), core::scoring::constraints::AmbiguousNMRDistanceConstraint::AmbiguousNMRDistanceConstraint(), core::conformation::Conformation::append_residue(), protocols::noesy_assign::PeakCalibrator::atom_type(), protocols::noesy_assign::fall_back(), core::scoring::constraints::Obsolet_NamedAtomPairConstraint::mapto(), protocols::noesy_assign::Resonance::name(), core::pose::named_atom_id_to_atom_id(), core::conformation::named_atom_id_to_atom_id(), core::id::NamedStubID::NamedStubID(), core::id::operator<<(), core::id::operator>>(), core::scoring::constraints::NamedAtomPairConstraint::setup_for_scoring(), core::scoring::constraints::LocalCoordinateConstraint::show_def(), protocols::comparative_modeling::steal_ligands(), protocols::noesy_assign::sum_IntraNOE(), protocols::noesy_assign::FragsToAtomDist::swap_atoms(), to_string(), protocols::noesy_assign::PeakFileFormat_xpk::write_assignment(), and protocols::noesy_assign::PeakFileFormat_Sparky::write_assignment().

std::string& core::id::NamedAtomID::atom ( )

inline

Definition at line 88 of file NamedAtomID.hh.

References atom_.

Size core::id::NamedAtomID::rsd ( ) const

inline

Definition at line 76 of file NamedAtomID.hh.

References rsd_.

Referenced by protocols::noesy_assign::Resonance::_write_to_stream(), core::scoring::constraints::AmbiguousNMRDistanceConstraint::AmbiguousNMRDistanceConstraint(), core::conformation::Conformation::append_residue(), protocols::noesy_assign::PeakAssignment::create_constraint(), protocols::noesy_assign::fall_back(), protocols::noesy_assign::CrossPeakList::generate_fa_and_cen_constraints(), core::scoring::constraints::Obsolet_NamedAtomPairConstraint::mapto(), core::pose::named_atom_id_to_atom_id(), core::conformation::named_atom_id_to_atom_id(), core::id::NamedStubID::NamedStubID(), protocols::noesy_assign::PeakAssignmentResidueMap::network_analysis(), core::id::operator<<(), core::id::operator>>(), protocols::noesy_assign::ResonanceList::operator[](), core::scoring::constraints::AngleConstraint::remapped_clone(), core::scoring::constraints::CoordinateConstraint::remapped_clone(), core::scoring::constraints::AtomPairConstraint::remapped_clone(), core::scoring::constraints::AmbiguousNMRDistanceConstraint::remapped_clone(), core::scoring::constraints::LocalCoordinateConstraint::remapped_clone(), core::scoring::constraints::NamedAtomPairConstraint::remapped_clone(), core::scoring::constraints::DihedralPairConstraint::remapped_clone(), core::scoring::constraints::DistancePairConstraint::remapped_clone(), core::scoring::constraints::DihedralConstraint::remapped_clone(), protocols::noesy_assign::Resonance::resid(), core::scoring::constraints::NamedAtomPairConstraint::setup_for_scoring(), core::scoring::constraints::LocalCoordinateConstraint::show_def(), protocols::comparative_modeling::steal_ligands(), protocols::noesy_assign::FragsToAtomDist::swap_atoms(), to_string(), valid(), protocols::noesy_assign::PeakFileFormat_xpk::write_assignment(), and protocols::noesy_assign::PeakFileFormat_Sparky::write_assignment().

Size& core::id::NamedAtomID::rsd ( )

inline

Definition at line 80 of file NamedAtomID.hh.

References rsd_.

std::string core::id::NamedAtomID::to_string

(

)

const

Definition at line 32 of file NamedAtomID.cc.

References atom(), and rsd().

bool core::id::NamedAtomID::valid ( ) const

inline

Is this id valid?

Note

Must return false for BOGUS_ATOM_ID

Definition at line 94 of file NamedAtomID.hh.

References atom_, and rsd().

Referenced by core::scoring::constraints::Obsolet_NamedAtomPairConstraint::mapto(), core::pose::named_atom_id_to_atom_id(), core::pose::named_stub_id_to_stub_id(), core::conformation::named_stub_id_to_stub_id(), protocols::comparative_modeling::steal_ligands(), and core::id::NamedStubID::valid().

Friends And Related Function Documentation

bool operator!= ( NamedAtomID const &  a, NamedAtomID const &  b  )

friend

a and b are different atom

Definition at line 123 of file NamedAtomID.hh.

bool operator< ( NamedAtomID const &  a, NamedAtomID const &  b  )

friend

a is LOWER than b (e.g., first by smaller residue index number then by smaller atom index number)

Definition at line 132 of file NamedAtomID.hh.

std::ostream& operator<< ( std::ostream &  os, NamedAtomID const &  a  )

friend

stream << NamedAtomID

Definition at line 38 of file NamedAtomID.cc.

bool operator== ( NamedAtomID const &  a, NamedAtomID const &  b  )

friend

a and b are the same atom

Definition at line 114 of file NamedAtomID.hh.

std::istream& operator>> ( std::istream &  is, NamedAtomID &  e  )

friend

input operator

Definition at line 49 of file NamedAtomID.cc.

Member Data Documentation

std::string core::id::NamedAtomID::atom_

private

Atom number within the Residue.

Definition at line 142 of file NamedAtomID.hh.

Referenced by atom(), and valid().

Size core::id::NamedAtomID::rsd_

private

Residue number within the complex.

Definition at line 145 of file NamedAtomID.hh.

Referenced by rsd().

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

• src/core/id/NamedAtomID.hh
• src/core/id/NamedAtomID.cc