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Contents?: true
Size: 768 Bytes
Versions: 6
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Stored size: 768 Bytes
Contents
require 'spec_helper'
require 'mspire/molecular_formula'
describe Mspire::MolecularFormula do
it 'can be initialized with a String or Hash' do
data = {h: 22, c: 12, n: 1, o: 3, s: 2}
mf = Mspire::MolecularFormula.new "H22BeC12N1O3S2Li2"
mf.should == {:h=>22, :be=>1, :c=>12, :n=>1, :o=>3, :s=>2, :li=>2}
mf = Mspire::MolecularFormula.new(data)
mf.should == data
end
it 'expects properly capitalized abbreviations' do
Mspire::MolecularFormula.new('Ni7Se3').should == {:ni=>7, :se=>3}
# there is no such thing as the E element, so this is going to get the
# user in trouble. However, this is the proper interpretation of the
# formula.
Mspire::MolecularFormula.new('Ni7SE3').should == {:ni=>7, :s=>1, :e=>3}
end
end
Version data entries
6 entries across 6 versions & 1 rubygems