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Contents
require 'mspire/mass/version' require 'mspire/mass/element' require 'mspire/mass/subatomic' require 'mspire/mass/common' require 'mspire/mass/aa' module Mspire # includes the Subatomic entities that are acceptable contants (e.g., H+ # won't work) as uppercase module constants (e.g. Mspire::Mass::ELECTRON # and Mspire::Mass::PROTON) module Mass Subatomic::MONO_STRING.each do |key, val| unless key == 'H+' self.const_set(key, val) end end #class << self ## takes a molecular formula as a string, hash or MolecularFormula object ## and returns the exact mass. #def formula_to_exact_mass(formula) #Mspire::MolecularFormula.from_any(formula).mass #end #alias_method :formula, :formula_to_exact_mass #def aa_to_exact_mass(aa_seq) #chain_mass = aa_seq.each_char.inject(0.0) do |sum, aa_char| #sum + AA[aa_char] #end #chain_mass + formula_to_exact_mass('H2O') #end #alias_method :aa, :aa_to_exact_mass #end end end
Version data entries
1 entries across 1 versions & 1 rubygems
Version | Path |
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mspire-mass-0.1.0 | lib/mspire/mass.rb |