Rosetta 3.4
Public Types | Public Member Functions
protocols::noesy_assign::CrossPeakList Class Reference

#include <CrossPeakList.hh>

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List of all members.

Public Types

typedef std::list< CrossPeakOPCrossPeaks
typedef CrossPeaks::const_iterator const_iterator
typedef CrossPeaks::iterator iterator

Public Member Functions

 CrossPeakList ()
void read_from_stream (std::istream &, PeakFileFormat &input_adaptor, ResonanceListOP resonances)
void write_to_stream (std::ostream &, PeakFileFormat &output_adaptor) const
void write_peak_files (std::string const &prefix, PeakFileFormat &output_adaptor) const
void find_assignments ()
void update_chemshiftscore ()
void update_symmetry_score ()
void update_upperdistance_score ()
template<class DecoyIterator >
void update_decoy_compatibility_score (DecoyIterator const &begin, DecoyIterator const &end)
void eliminate_spurious_peaks ()
template<class DecoyIterator >
void calibrate (DecoyIterator const &begin, DecoyIterator const &end)
core::scoring::constraints::ConstraintSetOP generate_constraints (core::pose::Pose const &pose, bool centroid=false, core::Size min_seq_separation=2) const
void generate_fa_and_cen_constraints (core::scoring::constraints::ConstraintSetOP fa_set, core::scoring::constraints::ConstraintSetOP cen_set, core::pose::Pose const &pose, core::pose::Pose const &centroid_pose, core::Size min_seq_separation) const
PeakAssignmentResidueMap const & assignments () const
PeakAssignmentResidueMapassignments ()
core::Size count_assignments () const
void delete_diagonal_peaks ()
void update_peak_volumina ()
void network_analysis ()
void set_trivial_decoy_compatibility_score ()
CrossPeaks const & peaks () const
const_iterator begin () const
const_iterator end () const
iterator begin ()
core::Size size () const

Member Typedef Documentation

typedef CrossPeaks::const_iterator protocols::noesy_assign::CrossPeakList::const_iterator

Constructor & Destructor Documentation

protocols::noesy_assign::CrossPeakList::CrossPeakList ( )

Member Function Documentation

PeakAssignmentResidueMap const& protocols::noesy_assign::CrossPeakList::assignments ( ) const [inline]

Referenced by update_symmetry_score().

PeakAssignmentResidueMap& protocols::noesy_assign::CrossPeakList::assignments ( ) [inline]
const_iterator protocols::noesy_assign::CrossPeakList::begin ( ) const [inline]
iterator protocols::noesy_assign::CrossPeakList::begin ( ) [inline]
template<class DecoyIterator >
void protocols::noesy_assign::CrossPeakList::calibrate ( DecoyIterator const &  begin,
DecoyIterator const &  end 
)
Size protocols::noesy_assign::CrossPeakList::count_assignments ( ) const

References begin(), and end().

Referenced by network_analysis().

void protocols::noesy_assign::CrossPeakList::delete_diagonal_peaks ( )

References begin(), end(), and tr().

void protocols::noesy_assign::CrossPeakList::eliminate_spurious_peaks ( )

References begin(), and end().

const_iterator protocols::noesy_assign::CrossPeakList::end ( ) const [inline]
void protocols::noesy_assign::CrossPeakList::find_assignments ( )

References tr().

core::scoring::constraints::ConstraintSetOP protocols::noesy_assign::CrossPeakList::generate_constraints ( core::pose::Pose const &  pose,
bool  centroid = false,
core::Size  min_seq_separation = 2 
) const
void protocols::noesy_assign::CrossPeakList::generate_fa_and_cen_constraints ( core::scoring::constraints::ConstraintSetOP  fa_set,
core::scoring::constraints::ConstraintSetOP  cen_set,
core::pose::Pose const &  pose,
core::pose::Pose const &  centroid_pose,
core::Size  min_seq_separation 
) const
void protocols::noesy_assign::CrossPeakList::network_analysis ( )
CrossPeaks const& protocols::noesy_assign::CrossPeakList::peaks ( ) const [inline]
void protocols::noesy_assign::CrossPeakList::read_from_stream ( std::istream &  is,
PeakFileFormat input_adaptor,
ResonanceListOP  resonances 
)
void protocols::noesy_assign::CrossPeakList::set_trivial_decoy_compatibility_score ( )

References begin(), end(), and tr().

core::Size protocols::noesy_assign::CrossPeakList::size ( ) const [inline]
void protocols::noesy_assign::CrossPeakList::update_chemshiftscore ( )

References begin(), end(), and tr().

template<class DecoyIterator >
void protocols::noesy_assign::CrossPeakList::update_decoy_compatibility_score ( DecoyIterator const &  begin,
DecoyIterator const &  end 
)
void protocols::noesy_assign::CrossPeakList::update_peak_volumina ( )

References begin(), end(), and tr().

Referenced by network_analysis().

void protocols::noesy_assign::CrossPeakList::update_symmetry_score ( )
void protocols::noesy_assign::CrossPeakList::update_upperdistance_score ( )

References begin(), end(), and tr().

void protocols::noesy_assign::CrossPeakList::write_peak_files ( std::string const &  prefix,
PeakFileFormat output_adaptor 
) const
void protocols::noesy_assign::CrossPeakList::write_to_stream ( std::ostream &  os,
PeakFileFormat output_adaptor 
) const

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