module Mspire::Mass

Constants

ELECTRON
H_PLUS
NEUTRON
PROTON

Public Class Methods

aa(aa_seq)
Alias for: aa_to_exact_mass
aa_to_exact_mass(aa_seq) click to toggle source
# 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(formula)
formula_to_exact_mass(formula) click to toggle source

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