94 QString toString()
const;
98 double getMass()
const;
106 double getMassDelta()
const;
108 std::size_t modifCount()
const;
110 void setBeginMassDelta(
double);
114 std::vector<double> getTheoreticalIonMassList()
const;
117 std::size_t getCountSharedPeaks()
const;
118 double getIntensitySharedPeaks()
const;
119 double getIntensityExperimentalPeaks()
const;
121 void assignResidualMass2Cter();
142 bool checkForMutations(
const std::vector<AminoAcidChar> &aa_list,
155 bool checkForMutation(
const pappso::Aa &amino_acid_candidate,
166 bool checkForAaModification(
const pappso::Aa &aa_modified,
202 bool removeBracketsForAlignedAA();
204 const std::vector<TheoreticalPeakDataPoint> &
205 getTheoreticalPeakDataPointList()
const;
207 QString getTheoreticalPeakDataPointListToString()
const;
213 QString toProForma()
const;
215 bool hasRemoval()
const;
220 bool ltrimOnRemoval();
229 double m_beginMassDelta = 0;
235 std::size_t m_countSharedPeaks = 0;
236 double m_intensitySharedPeaks = 0;
237 double m_intensityExperimentalPeaks = 0;