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Contents
require 'spec_helper'
require 'mspire/mass/all'
describe Mspire::Mass::All do
it 'accesses elements by lower case and amino acids by upper case' do
{
'c' => 12.0, # carbon
'C' => 103.00918, # cysteine
'br' => 78.9183361, # bromine
'd' => 2.014101779, # deuterium
'D' => 115.0269430, # aspartic acid
'h+' => 1.00727646677, # proton
'h' => 1.007825035, # hydrogen
'h2o' => 18.0105647, # water
'oh' => 17.002739665, # oh
'e' => 0.0005486, # electron
}.each do |el, mass|
Mspire::Mass::All::MONO[el].should_not be_nil
Mspire::Mass::All::MONO[el].should == Mspire::Mass::All::MONO[el.to_sym]
Mspire::Mass::All::MONO[el].should be_within(0.00001).of(mass)
end
{ h: 1.00794, he: 4.002602, ni: 58.6934, H: 137.13928 }.each do |el, mass|
Mspire::Mass::All::AVG[el].should_not be_nil
Mspire::Mass::All::AVG[el].should == Mspire::Mass::All::AVG[el.to_sym]
Mspire::Mass::All::AVG[el].should be_within(0.00001).of(mass)
end
end
it 'mono may be accessed directly' do
Mspire::Mass::All[:c].should == 12.0
end
end
Version data entries
15 entries across 15 versions & 1 rubygems