module Mspire::Mass
Constants
- ELECTRON
- H_PLUS
- NEUTRON
- PROTON
Public Class Methods
aa_to_exact_mass(aa_seq)
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# File lib/mspire/mass.rb, line 29 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
Also aliased as: aa
formula_to_exact_mass(formula)
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takes a molecular formula as a string, hash or MolecularFormula
object and returns the exact mass.
# File lib/mspire/mass.rb, line 24 def formula_to_exact_mass(formula) Mspire::MolecularFormula.from_any(formula).mass end
Also aliased as: formula