module Mspire::Isotope::Distribution

Constants

NORMALIZE

Public Class Methods

calculate(molecular_formula_like, *args) click to toggle source
# File lib/mspire/isotope/distribution.rb, line 125
def calculate(molecular_formula_like, *args)
  mf = to_mf(molecular_formula_like)
  mf.isotope_distribution(*args)
end
spectrum(molecular_formula_like, *args) click to toggle source
# File lib/mspire/isotope/distribution.rb, line 130
def spectrum(molecular_formula_like, *args)
  mf = to_mf(molecular_formula_like)
  mf.isotope_distribution_spectrum(*args)
end
to_mf(obj) click to toggle source
# File lib/mspire/isotope/distribution.rb, line 121
def to_mf(obj)
  obj.is_a?(Mspire::MolecularFormula) ? obj : Mspire::MolecularFormula.from_any(obj)
end