lib/ms/mass.rb in mspire-0.6.2 vs lib/ms/mass.rb in mspire-0.6.6

- old
+ new

@@ -1,9 +1,9 @@ module MS module Mass - # takes a chemical formula in this format: C2BrH12O + # takes a molecular formula in this format: C2BrH12O def self.formula_to_exact_mass(formula) # TODO: add other input methods pairs = formula.scan(/([A-Z][a-z]?)(\d*)/).map do |match| if match.last == '' match[-1] = 1