ConfidenceScoring Class Reference

#include <OpenMS/ANALYSIS/OPENSWATH/ConfidenceScoring.h>

Inheritance diagram for ConfidenceScoring:

Collaboration diagram for ConfidenceScoring:

Classes
struct	GLM_
	Binomial GLM. More...
struct	RTNorm_
	Helper for RT normalization (range 0-100) More...

Public Member Functions
	ConfidenceScoring (bool test_mode_=false)
	Constructor. More...
	~ConfidenceScoring () override
void	initialize (const TargetedExperiment &library, const Size n_decoys, const Size n_transitions, const TransformationDescription &rt_trafo)
void	initializeGlm (double intercept, double rt_coef, double int_coef)
void	scoreMap (FeatureMap &features)
	Score a feature map -> make sure the class is properly initialized. More...
Public Member Functions inherited from ProgressLogger
	ProgressLogger ()
	Constructor. More...
virtual	~ProgressLogger ()
	Destructor. More...
	ProgressLogger (const ProgressLogger &other)
	Copy constructor. More...
ProgressLogger &	operator= (const ProgressLogger &other)
	Assignment Operator. More...
void	setLogType (LogType type) const
	Sets the progress log that should be used. The default type is NONE! More...
LogType	getLogType () const
	Returns the type of progress log being used. More...
void	setLogger (ProgressLoggerImpl *logger)
	Sets the logger to be used for progress logging. More...
void	startProgress (SignedSize begin, SignedSize end, const String &label) const
	Initializes the progress display. More...
void	setProgress (SignedSize value) const
	Sets the current progress. More...
void	endProgress (UInt64 bytes_processed=0) const
void	nextProgress () const
	increment progress by 1 (according to range begin-end) More...

Protected Member Functions
void	chooseDecoys_ ()
	Randomize the list of decoy indexes. More...
double	manhattanDist_ (DoubleList x, DoubleList y)
	Manhattan distance. More...
double	getAssayRT_ (const TargetedExperiment::Peptide &assay)
	Get the retention time of an assay. More...
double	scoreAssay_ (const TargetedExperiment::Peptide &assay, double feature_rt, DoubleList &feature_intensities, const std::set< String > &transition_ids=std::set< String >())
void	scoreFeature_ (Feature &feature)
	Score a feature. More...

Protected Attributes
struct OpenMS::ConfidenceScoring::GLM_	glm_
struct OpenMS::ConfidenceScoring::RTNorm_	rt_norm_
TargetedExperiment	library_
	assay library More...
IntList	decoy_index_
	indexes of assays to use as decoys More...
Size	n_decoys_
	number of decoys to use (per feature/true assay) More...
std::map< String, IntList >	transition_map_
	assay (ID) -> transitions (indexes) More...
Size	n_transitions_
	number of transitions to consider More...
TransformationDescription	rt_trafo_
	RT transformation to map measured RTs to assay RTs. More...
Math::RandomShuffler	shuffler_
	random shuffler for container More...
Protected Attributes inherited from ProgressLogger
LogType	type_
time_t	last_invoke_
ProgressLoggerImpl *	current_logger_

Additional Inherited Members
Public Types inherited from ProgressLogger
enum	LogType { CMD , GUI , NONE }
	Possible log types. More...
Static Protected Attributes inherited from ProgressLogger
static int	recursion_depth_

Constructor & Destructor Documentation

ConfidenceScoring()

ConfidenceScoring ( bool  test_mode_ = false )

explicit

Constructor.

~ConfidenceScoring()

~ConfidenceScoring ( )

inlineoverride

Member Function Documentation

chooseDecoys_()

void chooseDecoys_ ( )

protected

Randomize the list of decoy indexes.

getAssayRT_()

double getAssayRT_ ( const TargetedExperiment::Peptide &  assay )

protected

Get the retention time of an assay.

initialize()

void initialize ( const TargetedExperiment &  library, const Size  n_decoys, const Size  n_transitions, const TransformationDescription &  rt_trafo  )

inline

initializeGlm()

void initializeGlm ( double  intercept, double  rt_coef, double  int_coef  )

inline

manhattanDist_()

double manhattanDist_ ( DoubleList  x, DoubleList  y  )

protected

Manhattan distance.

scoreAssay_()

double scoreAssay_ ( const TargetedExperiment::Peptide &  assay, double  feature_rt, DoubleList &  feature_intensities, const std::set< String > &  transition_ids = std::set< String >()  )

protected

Score the assay assay against feature data (feature_rt, feature_intensities), optionally using only the specified transitions (transition_ids)

scoreFeature_()

void scoreFeature_ ( Feature &  feature )

protected

Score a feature.

scoreMap()

void scoreMap ( FeatureMap &  features )

inline

Score a feature map -> make sure the class is properly initialized.

both functions initializeGlm and initialize need to be called first.

The input to the program is

• a transition library which contains peptides with corresponding assays.
• a feature map where each feature corresponds to an assay (mapped with MetaValue "PeptideRef") and each feature has as many subordinates as the assay has transitions (mapped with MetaValue "native_id").

References ExposedVector< VectorElement >::begin(), ExposedVector< VectorElement >::end(), TargetedExperiment::getPeptides(), TargetedExperiment::getTransitions(), OPENMS_LOG_DEBUG, OPENMS_LOG_WARN, and ExposedVector< VectorElement >::size().

Member Data Documentation

decoy_index_

IntList decoy_index_

protected

indexes of assays to use as decoys

glm_

struct OpenMS::ConfidenceScoring::GLM_ glm_

protected

library_

TargetedExperiment library_

protected

assay library

n_decoys_

Size n_decoys_

protected

number of decoys to use (per feature/true assay)

n_transitions_

Size n_transitions_

protected

number of transitions to consider

rt_norm_

struct OpenMS::ConfidenceScoring::RTNorm_ rt_norm_

protected

rt_trafo_

TransformationDescription rt_trafo_

protected

RT transformation to map measured RTs to assay RTs.

shuffler_

Math::RandomShuffler shuffler_

protected

random shuffler for container

transition_map_

std::map<String, IntList> transition_map_

protected

assay (ID) -> transitions (indexes)