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