module Mspire::MolecularFormula::AA

Constants

FORMULAS_STRING

molecular formulas for each amino acid residue (no H or OH on ends) keyed by AA string. Shares formula objects with FORMULAS_SYBMOL and FORMULAS.

Public Class Methods

formulas(by: :symbol) click to toggle source

returns hash of molecular formulas keyed by amino acid single letter symbol

options:

:by =  :symbol | :string | :both
(:symbol is default)
# File lib/mspire/molecular_formula/aa.rb, line 46
def formulas(by: :symbol)
  case by
  when :symbol, :both
    sym_hash = Mspire::MolecularFormula::AA::FORMULAS_STRING.map {|k,v| [k.to_sym, v] }.to_h
  when :string
    return Mspire::MolecularFormula::AA::FORMULAS_STRING
  else
    raise ArgumentError, ":by must be :symbol, :string, or :both"
  end

  if by == :symbol
    sym_hash
  else
    Mspire::MolecularFormula::AA::FORMULAS_STRING.merge(sym_hash)
  end
end