94 QString toString()
const;
98 double getMass()
const;
102 double getMassDelta()
const;
104 std::size_t modifCount()
const;
106 void setBeginMassDelta(
double);
110 std::vector<double> getTheoreticalIonMassList()
const;
113 std::size_t getCountSharedPeaks()
const;
114 double getIntensitySharedPeaks()
const;
115 double getIntensityExperimentalPeaks()
const;
117 void assignResidualMass2Cter();
138 bool checkForMutations(
const std::vector<AminoAcidChar> &aa_list,
151 bool checkForMutation(
const pappso::Aa &amino_acid_candidate,
162 bool checkForAaModification(
const pappso::Aa &aa_modified,
198 bool removeBracketsForAlignedAA();
200 const std::vector<TheoreticalPeakDataPoint> &
201 getTheoreticalPeakDataPointList()
const;
203 QString getTheoreticalPeakDataPointListToString()
const;
209 QString toProForma()
const;
219 double m_beginMassDelta = 0;
225 std::size_t m_countSharedPeaks = 0;
226 double m_intensitySharedPeaks = 0;
227 double m_intensityExperimentalPeaks = 0;