ms-msrun 0.1.0 → 0.2.0

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Files changed (42) hide show
  1. data/.gitignore +3 -0
  2. data/.gitmodules +3 -0
  3. data/History +18 -0
  4. data/{README → README.rdoc} +0 -0
  5. data/Rakefile +93 -107
  6. data/VERSION +1 -0
  7. data/lib/lmat.rb +141 -39
  8. data/lib/ms/msrun/nokogiri.rb +1 -0
  9. data/lib/ms/msrun/search_dev_notes.txt +47 -0
  10. data/spec/lmat_spec.rb +87 -11
  11. data/spec/metadata/opd1/000.v1.mzXML.yml +3 -0
  12. data/spec/metadata/opd1/000.v2.1.mzXML.yml +3 -0
  13. data/spec/metadata/opd1/020.mzData.xml.yml +3 -0
  14. data/spec/metadata/opd1/020.v2.0.readw.mzXML.yml +3 -0
  15. data/spec/ms/msrun/hpricot.rb +38 -0
  16. data/spec/ms/msrun/index_spec.rb +12 -13
  17. data/spec/ms/msrun/search_spec.rb +5 -4
  18. data/spec/ms/msrun/sha1_spec.rb +3 -6
  19. data/spec/ms/msrun/test_parsing_xml_frags/parse_test.rb +25 -0
  20. data/spec/ms/msrun/test_parsing_xml_frags/test1.xml +5 -0
  21. data/spec/ms/msrun/test_parsing_xml_frags/test2.xml +6 -0
  22. data/spec/ms/msrun/test_parsing_xml_frags/test3.xml +4 -0
  23. data/spec/ms/msrun/test_parsing_xml_frags/test4.xml +11 -0
  24. data/spec/ms/msrun/test_parsing_xml_frags/test_failures.rb +47 -0
  25. data/spec/ms/msrun_bm.rb +22 -0
  26. data/spec/ms/msrun_spec.rb +90 -109
  27. data/spec/ms/scan_spec.rb +5 -6
  28. data/spec/ms/spectrum/compare_spec.rb +31 -28
  29. data/spec/ms/spectrum/filter_spec.rb +15 -13
  30. data/spec/spec_helper.rb +21 -0
  31. data/spec/testfiles/lmat/tmp1.lmat +0 -0
  32. data/spec/testfiles/lmat/tmp1.lmata +44 -0
  33. data/spec/testfiles/lmat/tmp2.lmata +11 -0
  34. data/spec/testfiles/opd1/000.v1.mzXML +418 -0
  35. data/spec/testfiles/opd1/000.v1.mzXML.key.yml +51 -0
  36. data/spec/testfiles/opd1/000.v2.1.mzXML +382 -0
  37. data/spec/testfiles/opd1/000.v2.1.mzXML.key.yml +51 -0
  38. data/spec/testfiles/opd1/020.mzData.xml +683 -0
  39. data/spec/testfiles/opd1/020.mzData.xml.key.yml +43 -0
  40. data/spec/testfiles/opd1/020.v2.0.readw.mzXML +382 -0
  41. data/spec/testfiles/opd1/020.v2.0.readw.mzXML.key.yml +46 -0
  42. metadata +85 -34
metadata CHANGED
@@ -1,15 +1,15 @@
1
1
  --- !ruby/object:Gem::Specification
2
2
  name: ms-msrun
3
3
  version: !ruby/object:Gem::Version
4
- version: 0.1.0
4
+ version: 0.2.0
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  platform: ruby
6
6
  authors:
7
- - John Prince
7
+ - John T. Prince
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  autorequire:
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  bindir: bin
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  cert_chain: []
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11
 
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- date: 2009-11-11 00:00:00 -07:00
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+ date: 2009-12-07 00:00:00 -07:00
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  default_executable:
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  dependencies:
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  - !ruby/object:Gem::Dependency
@@ -33,7 +33,7 @@ dependencies:
33
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  version: "0"
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  version:
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  - !ruby/object:Gem::Dependency
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- name: runarray
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+ name: narray
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  type: :runtime
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  version_requirement:
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  version_requirements: !ruby/object:Gem::Requirement
@@ -42,49 +42,95 @@ dependencies:
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  - !ruby/object:Gem::Version
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  version: "0"
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  version:
45
- description: A library for working with LC/MS runs. Part of mspire. Has parsers for mzXML v1, 2, and 3, mzData and mzML. Can convert to commonly desired search output (such as mgf)
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+ - !ruby/object:Gem::Dependency
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+ name: spec-more
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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"
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+ version:
55
+ description: A library for working with LC/MS runs. Part of mspire. Has parsers for mzXML v1, 2, and 3, mzData (currently broken) and mzML (planned). Can convert to commonly desired search output (such as mgf). Fast random access of scans, and fast reading of the entire file.
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  email: jtprince@gmail.com
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  executables:
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  - base64_to_array.rb
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- - ms_to_obiwarp.rb
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  - ms_to_search.rb
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+ - ms_to_obiwarp.rb
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  extensions: []
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  extra_rdoc_files:
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- - README
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  - LICENSE
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+ - README.rdoc
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  files:
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+ - .gitignore
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+ - .gitmodules
69
+ - History
70
+ - LICENSE
71
+ - README.rdoc
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+ - Rakefile
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+ - VERSION
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+ - bin/base64_to_array.rb
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+ - bin/ms_to_obiwarp.rb
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+ - bin/ms_to_search.rb
57
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  - lib/lmat.rb
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- - lib/ms/spectrum/filter.rb
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- - lib/ms/spectrum/compare.rb
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- - lib/ms/scan.rb
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- - lib/ms/msrun/sha1.rb
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- - lib/ms/msrun/regexp/mzxml.rb
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- - lib/ms/msrun/search.rb
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- - lib/ms/msrun/index.rb
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- - lib/ms/msrun/nokogiri/mzxml.rb
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+ - lib/ms/msrun.rb
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  - lib/ms/msrun/axml/mzxml.rb
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+ - lib/ms/msrun/index.rb
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  - lib/ms/msrun/mzxml.rb
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  - lib/ms/msrun/nokogiri.rb
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- - lib/ms/precursor.rb
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+ - lib/ms/msrun/nokogiri/mzxml.rb
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+ - lib/ms/msrun/regexp/mzxml.rb
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+ - lib/ms/msrun/search.rb
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+ - lib/ms/msrun/search_dev_notes.txt
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+ - lib/ms/msrun/sha1.rb
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  - lib/ms/mzxml.rb
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- - lib/ms/msrun.rb
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+ - lib/ms/precursor.rb
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  - lib/ms/precursor/lazy_parent.rb
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- - README
74
- - LICENSE
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- - Rakefile
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+ - lib/ms/scan.rb
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+ - lib/ms/spectrum/compare.rb
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+ - lib/ms/spectrum/filter.rb
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+ - spec/lmat_spec.rb
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+ - spec/metadata/opd1/000.v1.mzXML.yml
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+ - spec/metadata/opd1/000.v2.1.mzXML.yml
97
+ - spec/metadata/opd1/020.mzData.xml.yml
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+ - spec/metadata/opd1/020.v2.0.readw.mzXML.yml
99
+ - spec/ms/msrun/hpricot.rb
100
+ - spec/ms/msrun/index_spec.rb
101
+ - spec/ms/msrun/scan_spec.rb
102
+ - spec/ms/msrun/search_spec.rb
103
+ - spec/ms/msrun/sha1_spec.rb
104
+ - spec/ms/msrun/test_parsing_xml_frags/parse_test.rb
105
+ - spec/ms/msrun/test_parsing_xml_frags/test1.xml
106
+ - spec/ms/msrun/test_parsing_xml_frags/test2.xml
107
+ - spec/ms/msrun/test_parsing_xml_frags/test3.xml
108
+ - spec/ms/msrun/test_parsing_xml_frags/test4.xml
109
+ - spec/ms/msrun/test_parsing_xml_frags/test_failures.rb
110
+ - spec/ms/msrun_bm.rb
111
+ - spec/ms/msrun_spec.rb
112
+ - spec/ms/scan_spec.rb
113
+ - spec/ms/spectrum/compare_spec.rb
114
+ - spec/ms/spectrum/filter_spec.rb
115
+ - spec/spec_helper.rb
116
+ - spec/testfiles/lmat/tmp1.lmat
117
+ - spec/testfiles/lmat/tmp1.lmata
118
+ - spec/testfiles/lmat/tmp2.lmata
119
+ - spec/testfiles/opd1/000.v1.mzXML
120
+ - spec/testfiles/opd1/000.v1.mzXML.key.yml
121
+ - spec/testfiles/opd1/000.v2.1.mzXML
122
+ - spec/testfiles/opd1/000.v2.1.mzXML.key.yml
123
+ - spec/testfiles/opd1/020.mzData.xml
124
+ - spec/testfiles/opd1/020.mzData.xml.key.yml
125
+ - spec/testfiles/opd1/020.v2.0.readw.mzXML
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+ - spec/testfiles/opd1/020.v2.0.readw.mzXML.key.yml
76
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  has_rdoc: true
77
- homepage: http://mspire.rubyforge.org/projects/ms-msrun
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+ homepage: http://jtprince.github.com/ms-msrun/
78
129
  licenses: []
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130
 
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  post_install_message:
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132
  rdoc_options:
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- - --main
83
- - README
84
- - --title
85
- - ms-msrun
86
- - --line-numbers
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- - --inline-source
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+ - --charset=UTF-8
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  require_paths:
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  - lib
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  required_ruby_version: !ruby/object:Gem::Requirement
@@ -102,17 +148,22 @@ required_rubygems_version: !ruby/object:Gem::Requirement
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  requirements: []
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149
 
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  rubyforge_project: mspire
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- rubygems_version: 1.3.2
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+ rubygems_version: 1.3.5
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  signing_key:
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  specification_version: 3
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- summary: A library for working with LC/MS runs
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+ summary: an mspire library for working with LC/MS runs (mzxml, mzData, mzML)
109
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  test_files:
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- - spec/ms/spectrum/filter_spec.rb
111
- - spec/ms/spectrum/compare_spec.rb
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+ - spec/ms/scan_spec.rb
157
+ - spec/ms/msrun_spec.rb
158
+ - spec/ms/msrun_bm.rb
112
159
  - spec/ms/msrun/search_spec.rb
113
- - spec/ms/msrun/sha1_spec.rb
114
160
  - spec/ms/msrun/index_spec.rb
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+ - spec/ms/msrun/hpricot.rb
115
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  - spec/ms/msrun/scan_spec.rb
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- - spec/ms/msrun_spec.rb
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- - spec/ms/scan_spec.rb
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+ - spec/ms/msrun/sha1_spec.rb
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+ - spec/ms/msrun/test_parsing_xml_frags/parse_test.rb
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+ - spec/ms/msrun/test_parsing_xml_frags/test_failures.rb
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+ - spec/ms/spectrum/compare_spec.rb
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+ - spec/ms/spectrum/filter_spec.rb
118
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  - spec/lmat_spec.rb
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+ - spec/spec_helper.rb