std::vector< AminoAcidChar > AminoAcidCharList
static AaMassMap m_aaMassMap
std::map< char, unsigned int > AaIntMap
static AaIntMap m_aaNumberOfSulfurMap
static AaIntMap m_aaNumberOfCarbonMap
static AaIntMap m_aaNumberOfOxygenMap
virtual pappso_double getMass() const
static const std::vector< AminoAcidChar > & getAminoAcidCharList()
static pappso_double getAaMass(char aa_letter)
virtual void replaceLeucineIsoleucine()
std::map< char, pappso_double > AaMassMap
virtual const char & getLetter() const
static AminoAcidCharList m_aminoAcidCharList
static AaIntMap m_aaNumberOfNitrogenMap
static AaIntMap m_aaNumberOfHydrogenMap
virtual int getNumberOfAtom(AtomIsotopeSurvey atom) const override
get the number of atom C, O, N, H in the molecule
int getNumberOfIsotope(Isotope isotope) const override
get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
double pappso_double
A type definition for doubles.