isotope_spec.rb in mspire-0.9.2

- old
+ new
@@ -1,28 +1,28 @@
 require 'spec_helper'
 
 require 'mspire/isotope'
 
 describe 'Mspire::Isotope constants' do
-  it 'has all the common isotopes: Mspire::Isotope::ISOTOPES' do
+  it 'Mspire::Isotope::ISOTOPES has all the common isotopes and uses Neese by default' do
     # frozen
     Mspire::Isotope::ISOTOPES.size.should == 288
     hydrogen_isotopes = Mspire::Isotope::ISOTOPES.select {|iso| iso.element == :H }
     hydrogen_isotopes.size.should == 2
 
-    { atomic_number: 1, element: :H, mass_number: 1, atomic_mass: 1.00782503207, relative_abundance: 0.999885, average_mass: 1.00794, mono: true }.each do |k,v|
+    { atomic_number: 1, element: :H, mass_number: 1, atomic_mass: 1.00782503207, relative_abundance: 0.999844, average_mass: 1.00794, mono: true }.each do |k,v|
       hydrogen_isotopes.first.send(k).should == v
     end
-    {atomic_number: 1, element: :H, mass_number: 2, atomic_mass: 2.0141017778, relative_abundance: 0.000115, average_mass: 1.00794, mono: false}.each do |k,v|
+    {atomic_number: 1, element: :H, mass_number: 2, atomic_mass: 2.0141017778, relative_abundance: 0.000156, average_mass: 1.00794, mono: false}.each do |k,v|
       hydrogen_isotopes.last.send(k).should == v
     end
     u = Mspire::Isotope::ISOTOPES.last
     {atomic_number: 92, element: :U, mass_number: 238, atomic_mass: 238.0507882, relative_abundance: 0.992742, average_mass: 238.02891, mono: true}.each do |k,v|
       u.send(k).should == v
     end
   end
   it 'has all common isotopes by element: Mspire::Isotope::BY_ELEMENT' do
-    [{atomic_number: 6, element: :C, mass_number: 12, atomic_mass: 12.0, relative_abundance: 0.9893, average_mass: 12.0107, mono: true}, {atomic_number: 6, element: :C, mass_number: 13, atomic_mass: 13.0033548378, relative_abundance: 0.0107, average_mass: 12.0107, mono: false}].zip(Mspire::Isotope::BY_ELEMENT[:C]) do |hash, iso|
+    [{atomic_number: 6, element: :C, mass_number: 12, atomic_mass: 12.0, relative_abundance: 0.9891, average_mass: 12.0107, mono: true}, {atomic_number: 6, element: :C, mass_number: 13, atomic_mass: 13.0033548378, relative_abundance: 0.0109, average_mass: 12.0107, mono: false}].zip(Mspire::Isotope::BY_ELEMENT[:C]) do |hash, iso|
       hash.each do |k,v|
         iso.send(k).should == v
       end
     end
     Mspire::Isotope::BY_ELEMENT[:H].size.should == 2