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>

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 >	SpinAssignments

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

SpinAssignments

typedef utility::vector1< core::Size > protocols::noesy_assign::CrossPeak::Spin::SpinAssignments

private

Constructor & Destructor Documentation

Spin() [1/2]

protocols::noesy_assign::CrossPeak::Spin::Spin

(

core::Real

freq

)

Spin() [2/2]

protocols::noesy_assign::CrossPeak::Spin::Spin ( )

default

~Spin()

protocols::noesy_assign::CrossPeak::Spin::~Spin ( )

default

Member Function Documentation

add_assignment()

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

inline

add index-pointer into Resonance table to assign peak to putative spin

References assignment(), and assignments_.

Referenced by protocols::noesy_assign::CrossPeak3D::assign_labelled_spin(), protocols::noesy_assign::CrossPeak::assign_spin(), protocols::noesy_assign::CrossPeak3D::assign_spin(), and protocols::noesy_assign::CrossPeak4D::assign_spin().

assignment()

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

inline

return index-pointer into Resonance table

References assignments_.

Referenced by add_assignment(), protocols::noesy_assign::PeakAssignment::label_resonance_id(), protocols::noesy_assign::PeakAssignment::update_chemshiftscore_from_peak(), and protocols::noesy_assign::PeakAssignment::update_resonances_from_peak().

assignment_index()

core::Size protocols::noesy_assign::CrossPeak::Spin::assignment_index

(

core::Size

assignment

)

const

References protocols::noesy_assign::CrossPeak::assignments_.

Referenced by protocols::noesy_assign::CrossPeak::assign_spin().

freq()

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

inline

resonance frequency of peak

References freq_.

Referenced by set_freq(), and protocols::noesy_assign::PeakAssignment::update_chemshiftscore_from_peak().

n_assigned()

core::Size protocols::noesy_assign::CrossPeak::Spin::n_assigned ( ) const

inline

References assignments_.

Referenced by protocols::noesy_assign::CrossPeak::assign_spin(), and protocols::noesy_assign::CrossPeak::find_assignments().

set_freq()

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

inline

References freq(), and freq_.

Member Data Documentation

assignments_

SpinAssignments protocols::noesy_assign::CrossPeak::Spin::assignments_

private

Referenced by add_assignment(), assignment(), and n_assigned().

freq_

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

private

Referenced by freq(), and set_freq().

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

• src/protocols/noesy_assign/CrossPeak.hh
• src/protocols/noesy_assign/CrossPeak.cc