#include <FloatingResonance.hh>

Inheritance diagram for protocols::noesy_assign::FloatingResonance:

Collaboration diagram for protocols::noesy_assign::FloatingResonance:

Public Types
typedef std::set< core::Size >	FloatList

Public Member Functions
	FloatingResonance ()

	FloatingResonance (Resonance const &res, FloatList const &, ResonanceList *)

	~FloatingResonance ()

virtual core::Real	pmatch (core::Real peakfreq, core::Real error, FoldResonance const &folder) const

virtual void	write_to_stream (std::ostream &os) const
	output More...

virtual void	write_to_stream (std::ostream &, core::chemical::AA aa) const

Public Member Functions inherited from protocols::noesy_assign::Resonance
	Resonance ()

	Resonance (core::Size label, core::Real freq, core::Real error, core::id::NamedAtomID const &id, core::chemical::AA, core::Real intensity=1.0)

	~Resonance ()

virtual ResonanceOP	clone ()

core::Size	label () const
	ResonanceID. More...

core::id::NamedAtomID const &	atom () const
	Atom. More...

core::Size	resid () const

std::string const &	name () const

bool	is_proton () const

core::Real	freq () const
	resonance frequency (chemical shift) More...

core::Real	error () const

core::Real	tolerance () const

bool	match (core::Real freq, core::Real error, FoldResonance const &folder) const
	Resonance matches the given cross-peaks frequency. More...

void	combine (std::deque< ResonanceOP > &last_resonances, bool drain)

core::chemical::AA	aa () const

core::Real	intensity () const
	in ILV-labelled proteins, the both LV methyls are labelled randomly with 50% probability, whereas I delta methyls are labelled 100% More...

void	set_intensity (core::Real setting)

CALIBRATION_ATOM_TYPE	calibration_atom_type () const
	classification for calibration... e.g., Backbone, sidechain, etc.. More...

core::Real	_pmatch (core::Real freq, core::Real error, FoldResonance const &folder) const

Private Types
typedef Resonance	Parent

Private Member Functions
void	_write_partner_ids (std::ostream &os) const

Private Attributes
FloatList	partner_ids_

ResonanceList const *	res_list_

Detailed Description

@detail

FloatingResonance combines resonanceID (label), chemical shift (freq), tolerance (error), and the assigned atom (atom, name, resid) (provided accessor methods of "FloatingResonance": label, atom, resid, name, freq, error, tolerance, calibration_atom_type )

Definition at line 44 of file FloatingResonance.hh.