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MetaProSIPDecomposition Class Reference

Static Public Member Functions

static Int calculateDecompositionWeightsIsotopicPatterns (Size n_bins, const vector< double > &isotopic_intensities, const IsotopePatterns &patterns, MapRateToScoreType &map_rate_to_decomposition_weight, SIPPeptide &sip_peptide)
 > Perform the decomposition More...
 
static IsotopePatterns calculateIsotopePatternsFor13CRange (const AASequence &peptide, Size additional_isotopes=5)
 
static Size getNumberOfLabelingElements (String labeling_element, const AASequence &peptide)
 
static IsotopePatterns calculateIsotopePatternsFor15NRange (const AASequence &peptide, Size additional_isotopes=5)
 
static IsotopePatterns calculateIsotopePatternsFor2HRange (const AASequence &peptide, Size additional_isotopes=5)
 
static IsotopePatterns calculateIsotopePatternsFor15NRangeOfAveraginePeptide (double mass)
 
static IsotopePatterns calculateIsotopePatternsFor13CRangeOfAveraginePeptide (double mass)
 
static IsotopePatterns calculateIsotopePatternsFor2HRangeOfAveraginePeptide (double mass)
 

Member Function Documentation

static Int calculateDecompositionWeightsIsotopicPatterns ( Size  n_bins,
const vector< double > &  isotopic_intensities,
const IsotopePatterns patterns,
MapRateToScoreType map_rate_to_decomposition_weight,
SIPPeptide sip_peptide 
)
inlinestatic
static IsotopePatterns calculateIsotopePatternsFor13CRange ( const AASequence &  peptide,
Size  additional_isotopes = 5 
)
inlinestatic

> Given a peptide sequence calculate the theoretical isotopic patterns given all incorporations rate (13C Version) > extend isotopic patterns by additional_isotopes to collect other element higher isotopes at 100% incorporation

Referenced by TOPPMetaProSIP::main_().

static IsotopePatterns calculateIsotopePatternsFor13CRangeOfAveraginePeptide ( double  mass)
inlinestatic

Referenced by TOPPMetaProSIP::main_().

static IsotopePatterns calculateIsotopePatternsFor15NRange ( const AASequence &  peptide,
Size  additional_isotopes = 5 
)
inlinestatic

> Given a peptide sequence calculate the theoretical isotopic patterns given all incorporations rate (15C Version) > extend isotopic patterns by additional_isotopes to collect other element higher isotopes at 100% incorporation

Referenced by TOPPMetaProSIP::main_().

static IsotopePatterns calculateIsotopePatternsFor15NRangeOfAveraginePeptide ( double  mass)
inlinestatic

Referenced by TOPPMetaProSIP::main_().

static IsotopePatterns calculateIsotopePatternsFor2HRange ( const AASequence &  peptide,
Size  additional_isotopes = 5 
)
inlinestatic

Referenced by TOPPMetaProSIP::main_().

static IsotopePatterns calculateIsotopePatternsFor2HRangeOfAveraginePeptide ( double  mass)
inlinestatic

Referenced by TOPPMetaProSIP::main_().

static Size getNumberOfLabelingElements ( String  labeling_element,
const AASequence &  peptide 
)
inlinestatic

Referenced by TOPPMetaProSIP::main_().


OpenMS / TOPP release 2.0.0 Documentation generated on Sat Feb 20 2016 12:42:28 using doxygen 1.8.10