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protocols::noesy_assign::CrossPeak::Spin Class Reference

a single dimension of a multidimensional peak, stores putative assignments as indices into Resonance table More...

#include <CrossPeak.hh>

Collaboration diagram for protocols::noesy_assign::CrossPeak::Spin:
Collaboration graph

Public Member Functions

 Spin (core::Real freq)
 Spin ()
 ~Spin ()
core::Real freq () const
 resonance frequency of peak More...
void set_freq (core::Real freq)
void add_assignment (core::Size assignment)
 add index-pointer into Resonance table to assign peak to putative spin More...
core::Size assignment (core::Size nr) const
 return index-pointer into Resonance table More...
core::Size n_assigned () const
core::Size assignment_index (core::Size assignment) const

Private Types

typedef utility::vector1
< core::Size

Private Attributes

core::Real freq_
SpinAssignments assignments_

Detailed Description

a single dimension of a multidimensional peak, stores putative assignments as indices into Resonance table

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::noesy_assign::CrossPeak::Spin::Spin ( core::Real  freq)
protocols::noesy_assign::CrossPeak::Spin::Spin ( )
protocols::noesy_assign::CrossPeak::Spin::~Spin ( )

Member Function Documentation

void protocols::noesy_assign::CrossPeak::Spin::add_assignment ( core::Size  assignment)
core::Size protocols::noesy_assign::CrossPeak::Spin::assignment ( core::Size  nr) const

return index-pointer into Resonance table

References assignments_.

core::Size protocols::noesy_assign::CrossPeak::Spin::assignment_index ( core::Size  assignment) const
core::Real protocols::noesy_assign::CrossPeak::Spin::freq ( ) const

resonance frequency of peak

References freq_.

Referenced by set_freq(), and protocols::noesy_assign::PeakFileFormat::write_resonances().

core::Size protocols::noesy_assign::CrossPeak::Spin::n_assigned ( ) const
void protocols::noesy_assign::CrossPeak::Spin::set_freq ( core::Real  freq)

Member Data Documentation

SpinAssignments protocols::noesy_assign::CrossPeak::Spin::assignments_
core::Real protocols::noesy_assign::CrossPeak::Spin::freq_

Referenced by freq(), and set_freq().

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