24#ifndef _ISOTOPECALCULATOR_HPP_
25#define _ISOTOPECALCULATOR_HPP_
47 NormalizeAbundance = 0x02
52 int normalization = 0)
const;
IsotopeCalculator(const IsotopeCalculator &)
std::auto_ptr< Impl > impl_
MassDistribution distribution(const Formula &formula, int chargeState=0, int normalization=0) const
IsotopeCalculator(double abundanceCutoff, double massPrecision)
IsotopeCalculator & operator=(const IsotopeCalculator)
std::vector< MassAbundance > MassDistribution
struct for holding isotope distribution