mspire 0.6.7 → 0.6.9
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- data/Rakefile +5 -0
- data/VERSION +1 -1
- data/lib/cv/param.rb +25 -5
- data/lib/cv/referenceable_param_group_ref.rb +13 -0
- data/lib/cv.rb +3 -1
- data/lib/ms/cv/param.rb +19 -24
- data/lib/ms/cv/paramable.rb +42 -0
- data/lib/ms/mzml/activation.rb +33 -0
- data/lib/ms/mzml/chromatogram.rb +29 -0
- data/lib/ms/mzml/chromatogram_list.rb +26 -0
- data/lib/ms/mzml/component.rb +21 -0
- data/lib/ms/mzml/contact.rb +23 -0
- data/lib/ms/mzml/cv.rb +46 -0
- data/lib/ms/mzml/data_array.rb +65 -0
- data/lib/ms/mzml/data_array_container_like.rb +57 -0
- data/lib/ms/mzml/data_processing.rb +27 -0
- data/lib/ms/mzml/file_content.rb +21 -0
- data/lib/ms/mzml/file_description.rb +47 -0
- data/lib/ms/mzml/instrument_configuration.rb +37 -0
- data/lib/ms/mzml/isolation_window.rb +21 -0
- data/lib/ms/mzml/list.rb +23 -0
- data/lib/ms/mzml/precursor.rb +42 -0
- data/lib/ms/mzml/processing_method.rb +24 -0
- data/lib/ms/mzml/product.rb +22 -0
- data/lib/ms/mzml/referenceable_param_group.rb +40 -0
- data/lib/ms/mzml/run.rb +54 -0
- data/lib/ms/mzml/sample.rb +27 -0
- data/lib/ms/mzml/scan.rb +44 -0
- data/lib/ms/mzml/scan_list.rb +33 -0
- data/lib/ms/mzml/scan_settings.rb +28 -0
- data/lib/ms/mzml/selected_ion.rb +18 -0
- data/lib/ms/mzml/software.rb +28 -0
- data/lib/ms/mzml/source_file.rb +48 -0
- data/lib/ms/mzml/spectrum.rb +91 -0
- data/lib/ms/mzml/spectrum_list.rb +42 -0
- data/lib/ms/mzml.rb +173 -6
- data/lib/ms/quant/qspec/protein_group_comparison.rb +3 -3
- data/lib/ms/quant/qspec.rb +4 -4
- data/lib/ms/spectrum.rb +137 -260
- data/lib/ms/spectrum_like.rb +133 -0
- data/lib/ms/user_param.rb +43 -0
- data/lib/mspire.rb +6 -0
- data/obo/ms.obo +670 -121
- data/obo/unit.obo +23 -1
- data/spec/ms/cv/param_spec.rb +33 -0
- data/spec/ms/mzml/cv_spec.rb +17 -0
- data/spec/ms/mzml/file_content_spec.rb +25 -0
- data/spec/ms/mzml/file_description_spec.rb +34 -0
- data/spec/ms/mzml/referenceable_param_group_spec.rb +33 -0
- data/spec/ms/mzml_spec.rb +65 -4
- data/spec/ms/user_param_spec.rb +51 -0
- data/spec/mspire_spec.rb +9 -0
- data/spec/testfiles/ms/mzml/mspire_simulated.noidx.check.mzML +81 -0
- metadata +57 -21
- data/lib/cv/description.rb +0 -19
- data/lib/ms/cv/description.rb +0 -44
- data/lib/msplat.rb +0 -2
- data/spec/ms/cv/description_spec.rb +0 -60
- data/spec/msplat_spec.rb +0 -24
data/lib/ms/cv/description.rb
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require 'ms/cv/param'
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module MS
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module CV
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# An MS::Description is a convenient way to specify several mass spec related
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# cvParam objects at once.
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#
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# examples of usage:
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#
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# Description.new( <CV::Param> )
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# Description['MS:1000004', ['MS:1000004'], ['IMS:1000042', 23], param_obj, args]
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# Description.new do
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# param MS:1000004
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# param MS:1000042, 23
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# end
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class Description < Array
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# ensures that each argument is an argument that can be handled by
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# CV::Param. Returns the Description object it creates
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def self.[](*args)
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list = self.new
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args.each do |arg|
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arg.is_a?(Array) ? list.param(*arg) : list.param(arg)
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end
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list
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end
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# takes a list of valid CV::Param objects, or they can be set in the block
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# using param
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def initialize(*args, &block)
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args.each {|arg| param(arg) }
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instance_eval &block if block
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end
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# if the first object is a MS::CV::Param it is just pushed onto the list,
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# otherwise the arguments are sent in to initialize a fresh MS::CV::Param,
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# and this object is pushed onto the list.
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def param(*args)
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push args.first.is_a?(::CV::Param) ? args.first : MS::CV::Param.new(*args)
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end
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end
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end
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end
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data/lib/msplat.rb
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require 'spec_helper'
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require 'ms/cv/description'
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require 'cv'
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describe 'appending CV params objects to an MS::CV::Description' do
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describe 'intelligently appending params with #param' do
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before do
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@cv = MS::CV::Description.new
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end
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it 'sends detailed descriptions to CV::Param.new' do
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arglist = [
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['IMS', 'IMS:1000052', 'position z', 22],
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['IMS', 'IMS:1000030', 'continuous'],
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['IMS', 'IMS:1000052', 'position z', 22, 'UO:0000008'],
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['IMS', 'IMS:1000030', 'continuous', 'UO:0000008'],
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['IMS', 'IMS:1000052', 'position z', 22, MS::CV::Param.new('UO:0000008')],
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['IMS', 'IMS:1000030', 'continuous', MS::CV::Param.new('UO:0000008')],
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]
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arglist.each do |args|
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@cv.param *args
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end
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@cv.size.should == arglist.size
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arglist.each_with_index do |args, i|
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@cv[i].should == MS::CV::Param.new(*args)
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end
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end
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it 'deciphers short accession descriptions' do
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@cv.param 'MS:1000004' # sample mass
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@cv.param 'IMS:1000042', 23 # max count of pixels x
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{cv_ref: 'MS', accession: 'MS:1000004', name: 'sample mass', value: nil}.each do |key,val|
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@cv[0].send(key).should == val
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end
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{cv_ref: 'IMS', accession: 'IMS:1000042', name: 'max count of pixels x', value: 23}.each do |key,val|
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@cv[1].send(key).should == val
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end
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end
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describe 'appending on initialization' do
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it 'can be done with a block' do
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cvlist = MS::CV::Description.new do
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param 'MS:1000004' # sample mass
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param 'IMS:1000042', 23 # max count of pixels of y
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end
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cvlist.size.should == 2
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end
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end
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it 'can be done with brackets' do
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args = ['IMS', 'IMS:1000052', 'position z', 22]
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param_obj = CV::Param.new(*args)
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cvlist = MS::CV::Description['MS:1000004', ['MS:1000004'], ['IMS:1000042', 23], param_obj, args]
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cvlist.size.should == 5
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cvlist[0].should == cvlist[1]
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cvlist.each do |param|
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param.accession.should_not be_nil
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param.name.should_not be_nil
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param.cv_ref.should_not be_nil
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end
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end
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end
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end
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data/spec/msplat_spec.rb
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require 'spec_helper'
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require 'msplat'
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class String
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def const
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self.split('::').inject(Kernel) {|scope, const_name| scope.const_get(const_name)}
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end
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end
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describe "msplat" do
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it "requires major classes/modules" do
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%w(
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MS::Mass
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MS::Mass::AA
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).each do |str|
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expect { str.const }.to be_true
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end
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# for sanity's sake
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%w(MS::DoesntExit).each do |str|
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expect { str.const }.to raise_error(NameError)
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end
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end
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end
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