61 unsigned int parent_charge,
62 unsigned int max_isotope_number);
67 double getIntensityOfMatchedIon(
PeptideIon ion_type);
71 double getTotalIntensity()
const;
76 double getTotalIntensityOfMatchedIons()
const;
80 std::size_t getNumberOfMatchedIons()
const;
87 std::size_t countMatchedIonComplementPairs()
const;
91 double getTotalIntensityOfMatchedIonComplementPairs()
const;
94 std::pair<pappso::PeakIonIsotopeMatch, pappso::PeakIonIsotopeMatch>> &
95 getPeakIonPairs()
const;
100 double getMatchedMzDiffMean()
const;
105 double getMatchedMzDiffSd()
const;
111 double getMaxIntensityMatchedIonComplementPairPrecursorMassDelta()
const;
117 std::size_t getMaxConsecutiveIon(
PeptideIon ion_type);
121 std::size_t getAaSequenceCoverage(
PeptideIon ion_type);
126 std::size_t getComplementPairsAaSequenceCoverage();
128 double getMaxIntensityPeakIonMatch(
PeptideIon ion_type)
const;
131 double getIonPairPrecursorMassDelta(
132 const std::pair<pappso::PeakIonIsotopeMatch, pappso::PeakIonIsotopeMatch>
157 unsigned int m_parentCharge = 1;
160 std::pair<pappso::PeakIonIsotopeMatch, pappso::PeakIonIsotopeMatch>>
163 double m_matchedMzDiffMean = 0;
164 double m_matchedMzDiffMedian = 0;
165 double m_matchedMzDiffSd = 0;