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ProcessData Class Reference

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

Public Types

typedef std::multimap< int, MSPeakelution_peak
 
typedef std::vector< elution_peakMZ_series
 
typedef std::vector< elution_peak >::iterator MZ_series_ITERATOR
 
typedef std::multimap< double, MZ_seriesmain_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 >)
 
ProcessDataoperator= (const ProcessData &)
 
ProcessDataoperator<= (const ProcessData &)
 
ProcessDataoperator>= (const ProcessData &)
 
ProcessDataoperator< (const ProcessData &)
 
ProcessDataoperator> (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)
 
LCMSCDatagetProcessedData ()
 
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
 
LCMSCDatadata_
 
main_data_structure pMZ_LIST
 
std::map< double, int > MZ_CLUSTER
 
unsigned int LC_elution_peak_counter
 
BackgroundControlbackgroundController
 

Member Typedef Documentation

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

Constructor & Destructor Documentation

ProcessData ( const ProcessData )

Member Function Documentation

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

Member Data Documentation

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

OpenMS / TOPP release 2.0.0 Documentation generated on Fri May 29 2015 17:20:42 using doxygen 1.8.9.1