/**
* Get the summed natural abundance of all isotopes from an MolecularFormula. Assumes abundances
* to be preset, and will return 0.0 if not.
*
* @param formula The IMolecularFormula to calculate
* @return The summed natural abundance of all isotopes in this MolecularFormula
*/
public static double getTotalNaturalAbundance(IMolecularFormula formula) {
double abundance = 1.0;
for (IIsotope isotope : formula.isotopes()) {
if (isotope.getNaturalAbundance() == null) return 0.0;
abundance =
abundance * Math.pow(isotope.getNaturalAbundance(), formula.getIsotopeCount(isotope));
}
return abundance / Math.pow(100, getAtomCount(formula));
}
