ProcessData Class Reference

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/ProcessData.h>

Public Types
typedef std::multimap< int, MSPeak >	elution_peak
typedef std::vector< elution_peak >	MZ_series
typedef std::vector< elution_peak >::iterator	MZ_series_ITERATOR
typedef std::multimap< double, MZ_series >	main_data_structure
typedef main_data_structure::iterator	main_iterator

Public Member Functions
	~ProcessData ()
	ProcessData ()
	ProcessData (const ProcessData &)
void	add_scan_raw_data (int, double, CentroidData *)
void	add_scan_raw_data (std::vector< MSPeak >)
ProcessData &	operator= (const ProcessData &)
ProcessData &	operator<= (const ProcessData &)
ProcessData &	operator>= (const ProcessData &)
ProcessData &	operator< (const ProcessData &)
ProcessData &	operator> (const ProcessData &)
void	insert_observed_mz (main_iterator, MSPeak *)
void	insert_new_observed_mz (MSPeak *)
void	convert_ms_peaks (int, double, std::list< DeconvPeak > &, std::vector< MSPeak > &)
bool	filterDeisotopicMSPeak (MSPeak *)
int	compareIteratorToPeak (MSPeak *, main_iterator)
main_iterator	check_MZ_occurence (MSPeak *)
void	processMSPeaks (std::multimap< int, MSPeak > *)
double	getPeakIntensitySum (double)
bool	check_elution_peak_belong (MZ_series_ITERATOR, MSPeak *)
int	getElutionPeakDistance (MZ_series_ITERATOR, int)
void	extract_elution_peaks ()
bool	check_elution_peak (MZ_series_ITERATOR)
void	convert_to_LC_elution_peak (MZ_series_ITERATOR, double)
double	find_retention_time (double)
main_iterator	find_closest_mz_match (double)
void	adjustCorrectToMS1Precursor (double *, int, int, int)
main_iterator	get_MZ (double)
main_iterator	get_MZ_lower_bound (double)
main_iterator	get_MZ_LIST_end ()
main_iterator	get_MZ_LIST_start ()
void	erase_MZ_LIST_element (main_iterator)
int	getNbMSTraces ()
double	getMinimalIntensityLevel ()
std::map< double, int >::iterator	get_nb_MZ_cluster_elements (double)
void	erase_MZ_cluster_element (std::map< double, int >::iterator)
void	insert_MZ_cluster_element (double, int)
LCMSCData *	getProcessedData ()
void	increase_LC_elution_peak_counter ()
unsigned int	get_LC_elution_peak_counter ()
int	getMaxScanDistance ()
void	setMaxScanDistance (int in)

Protected Attributes
int	max_inter_scan_distance
LCMSCData *	data_
main_data_structure	pMZ_LIST
std::map< double, int >	MZ_CLUSTER
unsigned int	LC_elution_peak_counter
BackgroundControl *	backgroundController

Member Typedef Documentation

elution_peak

typedef std::multimap<int, MSPeak> elution_peak

main_data_structure

typedef std::multimap<double, MZ_series> main_data_structure

main_iterator

typedef main_data_structure::iterator main_iterator

MZ_series

typedef std::vector<elution_peak> MZ_series

MZ_series_ITERATOR

typedef std::vector<elution_peak>::iterator MZ_series_ITERATOR

Constructor & Destructor Documentation

~ProcessData()

~ProcessData

(

)

ProcessData() [1/2]

ProcessData

(

)

ProcessData() [2/2]

ProcessData

(

const ProcessData &

)

Member Function Documentation

add_scan_raw_data() [1/2]

void add_scan_raw_data	(	int	,
		double	,
		CentroidData *
	)

add_scan_raw_data() [2/2]

void add_scan_raw_data

(

std::vector< MSPeak >

)

adjustCorrectToMS1Precursor()

void adjustCorrectToMS1Precursor	(	double *	,
		int	,
		int	,
		int
	)

check_elution_peak()

bool check_elution_peak

(

MZ_series_ITERATOR

)

check_elution_peak_belong()

bool check_elution_peak_belong	(	MZ_series_ITERATOR	,
		MSPeak *
	)

check_MZ_occurence()

main_iterator check_MZ_occurence

(

MSPeak *

)

compareIteratorToPeak()

int compareIteratorToPeak	(	MSPeak *	,
		main_iterator
	)

convert_ms_peaks()

void convert_ms_peaks	(	int	,
		double	,
		std::list< DeconvPeak > &	,
		std::vector< MSPeak > &
	)

convert_to_LC_elution_peak()

void convert_to_LC_elution_peak	(	MZ_series_ITERATOR	,
		double
	)

erase_MZ_cluster_element()

void erase_MZ_cluster_element

(

std::map< double, int >::iterator

)

erase_MZ_LIST_element()

void erase_MZ_LIST_element

(

main_iterator

)

extract_elution_peaks()

void extract_elution_peaks

(

)

filterDeisotopicMSPeak()

bool filterDeisotopicMSPeak

(

MSPeak *

)

find_closest_mz_match()

main_iterator find_closest_mz_match

(

double

)

find_retention_time()

double find_retention_time

(

double

)

get_LC_elution_peak_counter()

unsigned int get_LC_elution_peak_counter

(

)

get_MZ()

main_iterator get_MZ

(

double

)

get_MZ_LIST_end()

main_iterator get_MZ_LIST_end

(

)

get_MZ_LIST_start()

main_iterator get_MZ_LIST_start

(

)

get_MZ_lower_bound()

main_iterator get_MZ_lower_bound

(

double

)

get_nb_MZ_cluster_elements()

std::map<double, int>::iterator get_nb_MZ_cluster_elements

(

double

)

getElutionPeakDistance()

int getElutionPeakDistance	(	MZ_series_ITERATOR	,
		int
	)

getMaxScanDistance()

int getMaxScanDistance

(

)

getMinimalIntensityLevel()

double getMinimalIntensityLevel

(

)

getNbMSTraces()

int getNbMSTraces

(

)

getPeakIntensitySum()

double getPeakIntensitySum

(

double

)

getProcessedData()

LCMSCData* getProcessedData

(

)

increase_LC_elution_peak_counter()

void increase_LC_elution_peak_counter

(

)

insert_MZ_cluster_element()

void insert_MZ_cluster_element	(	double	,
		int
	)

insert_new_observed_mz()

void insert_new_observed_mz

(

MSPeak *

)

insert_observed_mz()

void insert_observed_mz	(	main_iterator	,
		MSPeak *
	)

operator<()

ProcessData& operator<

(

const ProcessData &

)

operator<=()

ProcessData& operator<=

(

const ProcessData &

)

operator=()

ProcessData& operator=

(

const ProcessData &

)

operator>()

ProcessData& operator>

(

const ProcessData &

)

operator>=()

ProcessData& operator>=

(

const ProcessData &

)

processMSPeaks()

void processMSPeaks

(

std::multimap< int, MSPeak > *

)

setMaxScanDistance()

void setMaxScanDistance

(

int

in

)

Member Data Documentation

backgroundController

BackgroundControl* backgroundController

protected

data_

LCMSCData* data_

protected

LC_elution_peak_counter

unsigned int LC_elution_peak_counter

protected

max_inter_scan_distance

int max_inter_scan_distance

protected

MZ_CLUSTER

std::map<double, int> MZ_CLUSTER

protected

pMZ_LIST

main_data_structure pMZ_LIST

protected