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:

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

Definition at line 55 of file CrossPeak.hh.

Member Typedef Documentation

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

private

Definition at line 83 of file CrossPeak.hh.

Constructor & Destructor Documentation

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

(

core::Real

freq)

Definition at line 72 of file CrossPeak.cc.

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

(

)

Definition at line 73 of file CrossPeak.cc.

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

(

)

Definition at line 74 of file CrossPeak.cc.

Member Function Documentation

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

inline

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

Definition at line 66 of file CrossPeak.hh.

References 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().

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

inline

return index-pointer into Resonance table

Definition at line 71 of file CrossPeak.hh.

References assignments_.

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

(

core::Size

assignment)

const

Definition at line 75 of file CrossPeak.cc.

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

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

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

inline

resonance frequency of peak

Definition at line 62 of file CrossPeak.hh.

References freq_.

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

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

inline

Definition at line 75 of file CrossPeak.hh.

References assignments_.

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

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

inline

Definition at line 63 of file CrossPeak.hh.

References freq(), and freq_.

Referenced by protocols::noesy_assign::PeakFileFormat::read_resonances().

Member Data Documentation

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

private

Definition at line 84 of file CrossPeak.hh.

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

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

private

Definition at line 82 of file CrossPeak.hh.

Referenced by freq(), and set_freq().

---

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

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