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protocols::noesy_assign::FloatingResonance Class Reference

#include <FloatingResonance.hh>

Inheritance diagram for protocols::noesy_assign::FloatingResonance:
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Public Types

typedef std::set< core::SizeFloatList
 

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 )

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::noesy_assign::FloatingResonance::FloatingResonance ( )
protocols::noesy_assign::FloatingResonance::FloatingResonance ( Resonance const &  res,
FloatList const &  partner,
ResonanceList reslist 
)
protocols::noesy_assign::FloatingResonance::~FloatingResonance ( )

Member Function Documentation

void protocols::noesy_assign::FloatingResonance::_write_partner_ids ( std::ostream &  os) const
private

References partner_ids_.

Referenced by write_to_stream().

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

Reimplemented from protocols::noesy_assign::Resonance.

References partner_ids_.

void protocols::noesy_assign::FloatingResonance::write_to_stream ( std::ostream &  os) const
virtual
void protocols::noesy_assign::FloatingResonance::write_to_stream ( std::ostream &  os,
core::chemical::AA  aa 
) const
virtual

Member Data Documentation

FloatList protocols::noesy_assign::FloatingResonance::partner_ids_
private

Referenced by _write_partner_ids(), and pmatch().

ResonanceList const* protocols::noesy_assign::FloatingResonance::res_list_
private

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