class MS::Lipid::Ion
a lipid with modifications (typically the mods give it a charge so that it can be seen in the mass spec)
Attributes
lipid[RW]
an MS::Lipid
object
modifications[RW]
an MS::Lipid::Modifications object
Public Class Methods
new(lipid, mods=[])
click to toggle source
the key attribute of a query
# File lib/ms/lipid/ion.rb, line 13 def initialize(lipid, mods=[]) @lipid = lipid @modifications = mods @mz = nil end
Public Instance Methods
inspect()
click to toggle source
# File lib/ms/lipid/ion.rb, line 34 def inspect "<|| Ion mz=#{mz} #{lipid.inspect} + #{modifications.map(&:inspect).join(', ')} ||>" end
mz()
click to toggle source
# File lib/ms/lipid/ion.rb, line 19 def mz return @mz if @mz mass = @lipid.mass charge = 0 @modifications.each do |mod| mass += mod.massdiff charge += mod.charge end if charge == 0 @mz = nil else @mz = mass / charge end end