ms-xcalibur 0.2.0 → 0.3.0
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- data/History +4 -0
- data/lib/ms/xcalibur/convert/dta_to_mgf.rb +6 -4
- data/lib/ms/xcalibur/convert/raw_to_dta.rb +8 -6
- data/lib/ms/xcalibur/peakify.rb +8 -6
- metadata +16 -6
data/History
CHANGED
@@ -1,10 +1,11 @@
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+
require 'tap/tasks/file_task'
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require 'constants'
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module Ms
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module Xcalibur
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module Convert
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-
# :startdoc::
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+
# :startdoc::task convert dta files to mgf format
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#
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# Converts a set of dta files (Sequest format) into an mgf (Mascot format)
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# file. By default the mgf file is printed to $stdout, so redirection is
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@@ -42,12 +43,12 @@ module Ms
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# calculated from the {constants}[bioactive.rubyforge.org/constants] gem to be
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# ~ 1.007276 Da
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#
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-
class DtaToMgf < Tap::FileTask
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+
class DtaToMgf < Tap::Tasks::FileTask
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include Constants::Libraries
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# Returns the unrounded mass of a proton (H - e) as calculated
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# from the {constants}[bioactive.rubyforge.org/constants] gem.
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-
config :proton_mass, Element['H'].mass - Particle['Electron'].mass, &c.
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+
config :proton_mass, Element['H'].mass - Particle['Electron'].mass, &c.numeric_or_nil # Specify the proton mass
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config :output, $stdout, &c.io(:<<, :binmode) # The output file
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def process(*dta_files)
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@@ -57,7 +58,7 @@ module Ms
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log :convert, "#{dta_files.length} dta files"
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dta_files.each do |file|
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-
check_terminate
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app.check_terminate
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lines = File.read(file).split(/\r?\n/)
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# get the mh and z
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@@ -79,6 +80,7 @@ END IONS
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}
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end
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end
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+
output
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end
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end
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end
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@@ -1,8 +1,10 @@
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require 'tap/tasks/file_task'
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module Ms
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module Xcalibur
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module Convert
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-
# :startdoc::
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7
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+
# :startdoc::task convert RAW files to dta format
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#
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# Converts a RAW file to dta files using extract_msn.exe. Returns an
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# array of the output dta files. By default extracted files are put
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@@ -27,13 +29,13 @@ module Ms
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#
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# % tap run -- raw_to_dta --extract_msn_help
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#
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-
class RawToDta < Tap::FileTask
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class RawToDta < Tap::Tasks::FileTask
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config :extract_msn, 'C:\Xcalibur\System\Programs\extract_msn.exe' # The full path to the extract_msn executable
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config :first_scan, nil, :short => :F, &c.integer_or_nil
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config :last_scan, nil, :short => :L, &c.integer_or_nil
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-
config :lower_MW, nil, :short => :B, &c.
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-
config :upper_MW, nil, :short => :T, &c.
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config :precursor_mass_tol, 1.4, :short => :M, &c.
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config :lower_MW, nil, :short => :B, &c.numeric_or_nil
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config :upper_MW, nil, :short => :T, &c.numeric_or_nil
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config :precursor_mass_tol, 1.4, :short => :M, &c.numeric
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config :num_allowed_intermediate_scans_for_grouping, 1, :short => :S, &c.integer
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config :charge_state, nil, :short => :C, &c.integer_or_nil
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config :num_required_group_scans, 1, :short => :G, &c.integer_or_nil
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@@ -45,7 +47,7 @@ module Ms
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config :perform_charge_calculations, nil, :short => :K, &c.flag
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config :template_file, nil, :short => :O
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config :options_string, nil, :short => :A
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-
config :minimum_signal_to_noise, 3, :short => :R, &c.
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config :minimum_signal_to_noise, 3, :short => :R, &c.numeric
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config :minimum_number_of_peaks, 5, :short => :r, &c.integer
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config :output_dir, nil, &c.string_or_nil # The output directory
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data/lib/ms/xcalibur/peakify.rb
CHANGED
@@ -1,8 +1,9 @@
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1
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require 'tap/tasks/file_task'
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require 'ms/xcalibur/peak_file'
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module Ms
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module Xcalibur
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-
# :startdoc::
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# :startdoc::task adds graph data to an exported peak file
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#
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# Peakify adds points to signify the relative intensity (ie the rounded
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# intensity/max_intensity) of peaks to a peak list extracted from Xcalibur
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@@ -24,18 +25,18 @@ module Ms
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# Options can be specified to filter out points within a range of relative
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# intensities.
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#
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class Peakify < Tap::FileTask
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class Peakify < Tap::Tasks::FileTask
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config :point_char, '.' # A character used for each intensity point
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config :min, 0, &c.
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config :max, 100, &c.
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config :min, 0, &c.numeric # Min relative intenisty
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config :max, 100, &c.numeric # Max relative intenisty
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config :sort, false, &c.flag # Sort by intensity
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config :output, $stdout, &c.io(:<<, :binmode) # The output file
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def process(source)
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prepare(output) if output.kind_of?(String)
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open_io(output, 'w') do |target|
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target.binmode
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open_io(output, 'w') do |target|
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target.binmode
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# now perform the task...
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peak_file = PeakFile.parse File.read(source)
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@@ -59,6 +60,7 @@ module Ms
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target << peak_file.to_s
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end
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output
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end
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end
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end
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metadata
CHANGED
@@ -1,7 +1,7 @@
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1
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--- !ruby/object:Gem::Specification
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name: ms-xcalibur
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version: !ruby/object:Gem::Version
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version: 0.
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version: 0.3.0
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platform: ruby
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authors:
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- Simon Chiang
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@@ -9,28 +9,28 @@ autorequire:
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bindir: bin
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cert_chain: []
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-
date: 2009-
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date: 2009-05-25 00:00:00 -06:00
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default_executable:
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dependencies:
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- !ruby/object:Gem::Dependency
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name:
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name: tap
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type: :runtime
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version_requirement:
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - ">="
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- !ruby/object:Gem::Version
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version: 0.
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version: 0.17.0
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version:
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- !ruby/object:Gem::Dependency
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name: tap
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name: tap-tasks
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type: :runtime
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version_requirement:
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - ">="
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- !ruby/object:Gem::Version
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version: 0.
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version: 0.2.0
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version:
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- !ruby/object:Gem::Dependency
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name: constants
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@@ -42,6 +42,16 @@ dependencies:
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- !ruby/object:Gem::Version
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version: "0.1"
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version:
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- !ruby/object:Gem::Dependency
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name: tap-test
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type: :development
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version_requirement:
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - ">="
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- !ruby/object:Gem::Version
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version: 0.1.0
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version:
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description:
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email: simon.a.chiang@gmail.com
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executables: []
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