virtual int getNumberOfIsotope(Isotope isotope) const =0
get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule
virtual int getNumberOfAtom(AtomIsotopeSurvey atom) const =0
get the number of atom C, O, N, H in the molecule
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
This header contains all the type re-definitions and all the global variables definitions used in the...