module Mspire::Isotope::Distribution
Constants
- NORMALIZE
Public Class Methods
calculate(molecular_formula_like, *args)
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# 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)
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# 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)
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# File lib/mspire/isotope/distribution.rb, line 121 def to_mf(obj) obj.is_a?(Mspire::MolecularFormula) ? obj : Mspire::MolecularFormula.from_any(obj) end