mspire-simulator 0.1.0 → 0.1.1
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/VERSION +1 -1
- data/bin/mspire-simulator +2 -0
- data/lib/ms/sim_digester.rb +7 -0
- data/mspire-simulator.gemspec +2 -3
- metadata +1 -2
- data/testFiles/contam/hum_keratin.fasta +0 -11
data/VERSION
CHANGED
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@@ -1 +1 @@
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1
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-
0.1.
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1
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+
0.1.1
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data/bin/mspire-simulator
CHANGED
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@@ -88,6 +88,7 @@ module MspireSimulator
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88
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#-----------------------Clean UP----------------------------------------------
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spectra.features.each{|fe| fe.delete}
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peptides.clear
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91
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+
digester.clean
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#-----------------------------------------------------------------------------
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@@ -109,6 +110,7 @@ module MspireSimulator
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if File.exists?(digester.digested_file)
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File.delete(digester.digested_file)
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end
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113
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+
digester.clean
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end
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if spectra != nil
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spectra.features.each{|fe| fe.delete}
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data/lib/ms/sim_digester.rb
CHANGED
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@@ -9,6 +9,13 @@ module MS
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9
9
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@digestor = digestor
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@pH = pH
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@digested_file = ".#{Time.now.nsec.to_s}"
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12
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+
system("mkdir .m .i")
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13
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+
system("mkdir .m/A .m/R .m/N .m/D .m/C .m/E .m/Q .m/G .m/H .m/I .m/L .m/K .m/M .m/F .m/P .m/S .m/T .m/W .m/Y .m/V .m/U .m/O")
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14
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+
system("mkdir .i/A .i/R .i/N .i/D .i/C .i/E .i/Q .i/G .i/H .i/I .i/L .i/K .i/M .i/F .i/P .i/S .i/T .i/W .i/Y .i/V .i/U .i/O")
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15
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+
end
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+
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+
def clean
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system("rm -r -f .m .i")
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12
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end
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14
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def create_digested_file(file)
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data/mspire-simulator.gemspec
CHANGED
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@@ -5,7 +5,7 @@
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5
5
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6
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Gem::Specification.new do |s|
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s.name = "mspire-simulator"
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8
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-
s.version = "0.1.
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8
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+
s.version = "0.1.1"
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s.required_rubygems_version = Gem::Requirement.new(">= 0") if s.respond_to? :required_rubygems_version=
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s.authors = ["anoyce"]
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@@ -52,8 +52,7 @@ Gem::Specification.new do |s|
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"spec/peptide_spec.rb",
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"spec/progress_spec.rb",
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"spec/spec_helper.rb",
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55
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-
"spec/spectra_spec.rb"
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56
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-
"testFiles/contam/hum_keratin.fasta"
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+
"spec/spectra_spec.rb"
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]
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s.homepage = "http://dl.dropbox.com/u/42836826/Ms_Sim_Homepage.html"
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s.licenses = ["MIT"]
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metadata
CHANGED
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@@ -1,7 +1,7 @@
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1
1
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--- !ruby/object:Gem::Specification
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name: mspire-simulator
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version: !ruby/object:Gem::Version
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-
version: 0.1.
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4
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+
version: 0.1.1
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prerelease:
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platform: ruby
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authors:
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@@ -217,7 +217,6 @@ files:
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- spec/progress_spec.rb
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- spec/spec_helper.rb
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- spec/spectra_spec.rb
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220
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-
- testFiles/contam/hum_keratin.fasta
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homepage: http://dl.dropbox.com/u/42836826/Ms_Sim_Homepage.html
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licenses:
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- MIT
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@@ -1,11 +0,0 @@
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1
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-
>gi|18031719|gb|AY033495.1| Homo sapiens keratin protein K6irs (KRT6) mRNA, translated
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2
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-
MSRQLTHFPRGERLGFSGCSAVLSGGIGSSSASFRARVKGSASF
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GSKSLSCLGGSRSLALSAAARRGGGRLGGFVGTAFGSAGLGPKCPSVCPPGGIPQVTV
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NKSLLAPLNVEMDPEIQRVRAQEREQIKALNNKFASFIDKVRFLEQQNQVLETKWNLL
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QQLDLNNCRKNLEPIYEGYISNLQKQLEMLSGDGVRLDSELRNMQDLVEDYKKRYEVE
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INRRTAAENEFVVLKKDVDAAYMNKVELQAKVDSLTDEIKFFKCLYEGEITQIQSHIS
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7
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DTSIVLSMDNNRDLDLDSIIAEVRAQYEEIALKSKAEAETLYQTKIQELQVTAGQHGD
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8
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DLKLTKAEISELNRLIQRIRSEIGNVKKCADLETAIADAEQRGDCALKDARAKLDELE
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9
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GALHQAKEELARMLREYQELVSLKLALDMEIATYRKLLESEECRMSGEYPNSVSISVI
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SSTNAGAGGAGFSMGFGASSSYSYKTAAADVKTKGSCGSELKDPLAKTSGSSCATKKA
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-
SR
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