41 #include "../obo/obopsimod.h"
75 unsigned int position);
79 const QString &getAccession()
const;
80 const QString &getName()
const;
86 int getNumberOfIsotope(
Isotope isotope)
const override final;
87 bool isInternal()
const;
95 void setDiffFormula(
const QString &diff_formula);
101 void setXrefOrigin(
const QString &origin);
110 void calculateMassFromChemicalComponents();
std::map< Isotope, int > m_mapIsotope
std::map< AtomIsotopeSurvey, int > m_atomCount
std::map< QString, AaModificationP > MapAccessionModifications
const QString m_accession
static MapAccessionModifications m_mapAccessionModifications
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::shared_ptr< const Peptide > PeptideSp
const AaModification * AaModificationP
double pappso_double
A type definition for doubles.
std::unique_ptr< const AaModification > AaModificationUp