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Contents
require 'spec_helper'
require 'mspire/spectrum'
describe Mspire::Spectrum do
describe 'useful utilities' do
subject { Mspire::Spectrum.new [ [10.1, 10.5, 10.7, 11.5], [1, 2, 3, 4] ] }
it 'finds the nearest m/z or index' do
queries = {
10.4 => 1,
10.5 => 1,
10.6 => 1,
10.61 => 2,
-100.0 => 0,
200.0 => 3,
}
queries.each {|mz, exp_i| subject.find_nearest_index(mz).should == exp_i }
all = Hash[ queries.map {|k,v| [k,[v]] } ]
all[10.6] = [1,2]
all.each {|mz, exp_mz| subject.find_all_nearest_index(mz).should == exp_mz }
queries = {
10.4 => 10.5,
10.5 => 10.5,
10.6 => 10.5,
10.61 => 10.7,
-100.0 => 10.1,
200.0 => 11.5,
}
queries.each {|mz, exp_mz| subject.find_nearest(mz).should == exp_mz }
all = Hash[ queries.map {|k,v| [k,[v]] } ]
all[10.6] = [10.5, 10.7]
all.each {|mz, exp_mz| subject.find_all_nearest(mz).should == exp_mz }
end
it 'can sort itself by m/z' do
spec = Mspire::Spectrum.new [[10.5, 10.1, 11.5, 10.7], [2, 1, 4, 3]]
spec.sort!
spec.mzs.should == subject.mzs
spec.intensities.should == subject.intensities
end
end
end
Version data entries
26 entries across 26 versions & 1 rubygems