ms-msrun 0.1.0 → 0.2.0
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/.gitignore +3 -0
- data/.gitmodules +3 -0
- data/History +18 -0
- data/{README → README.rdoc} +0 -0
- data/Rakefile +93 -107
- data/VERSION +1 -0
- data/lib/lmat.rb +141 -39
- data/lib/ms/msrun/nokogiri.rb +1 -0
- data/lib/ms/msrun/search_dev_notes.txt +47 -0
- data/spec/lmat_spec.rb +87 -11
- data/spec/metadata/opd1/000.v1.mzXML.yml +3 -0
- data/spec/metadata/opd1/000.v2.1.mzXML.yml +3 -0
- data/spec/metadata/opd1/020.mzData.xml.yml +3 -0
- data/spec/metadata/opd1/020.v2.0.readw.mzXML.yml +3 -0
- data/spec/ms/msrun/hpricot.rb +38 -0
- data/spec/ms/msrun/index_spec.rb +12 -13
- data/spec/ms/msrun/search_spec.rb +5 -4
- data/spec/ms/msrun/sha1_spec.rb +3 -6
- data/spec/ms/msrun/test_parsing_xml_frags/parse_test.rb +25 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test1.xml +5 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test2.xml +6 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test3.xml +4 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test4.xml +11 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test_failures.rb +47 -0
- data/spec/ms/msrun_bm.rb +22 -0
- data/spec/ms/msrun_spec.rb +90 -109
- data/spec/ms/scan_spec.rb +5 -6
- data/spec/ms/spectrum/compare_spec.rb +31 -28
- data/spec/ms/spectrum/filter_spec.rb +15 -13
- data/spec/spec_helper.rb +21 -0
- data/spec/testfiles/lmat/tmp1.lmat +0 -0
- data/spec/testfiles/lmat/tmp1.lmata +44 -0
- data/spec/testfiles/lmat/tmp2.lmata +11 -0
- data/spec/testfiles/opd1/000.v1.mzXML +418 -0
- data/spec/testfiles/opd1/000.v1.mzXML.key.yml +51 -0
- data/spec/testfiles/opd1/000.v2.1.mzXML +382 -0
- data/spec/testfiles/opd1/000.v2.1.mzXML.key.yml +51 -0
- data/spec/testfiles/opd1/020.mzData.xml +683 -0
- data/spec/testfiles/opd1/020.mzData.xml.key.yml +43 -0
- data/spec/testfiles/opd1/020.v2.0.readw.mzXML +382 -0
- data/spec/testfiles/opd1/020.v2.0.readw.mzXML.key.yml +46 -0
- 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. | 
| 4 | 
            +
              version: 0.2.0
         | 
| 5 5 | 
             
            platform: ruby
         | 
| 6 6 | 
             
            authors: 
         | 
| 7 | 
            -
            - John Prince
         | 
| 7 | 
            +
            - John T. Prince
         | 
| 8 8 | 
             
            autorequire: 
         | 
| 9 9 | 
             
            bindir: bin
         | 
| 10 10 | 
             
            cert_chain: []
         | 
| 11 11 |  | 
| 12 | 
            -
            date: 2009- | 
| 12 | 
            +
            date: 2009-12-07 00:00:00 -07:00
         | 
| 13 13 | 
             
            default_executable: 
         | 
| 14 14 | 
             
            dependencies: 
         | 
| 15 15 | 
             
            - !ruby/object:Gem::Dependency 
         | 
| @@ -33,7 +33,7 @@ dependencies: | |
| 33 33 | 
             
                    version: "0"
         | 
| 34 34 | 
             
                version: 
         | 
| 35 35 | 
             
            - !ruby/object:Gem::Dependency 
         | 
| 36 | 
            -
              name:  | 
| 36 | 
            +
              name: narray
         | 
| 37 37 | 
             
              type: :runtime
         | 
| 38 38 | 
             
              version_requirement: 
         | 
| 39 39 | 
             
              version_requirements: !ruby/object:Gem::Requirement 
         | 
| @@ -42,49 +42,95 @@ dependencies: | |
| 42 42 | 
             
                  - !ruby/object:Gem::Version 
         | 
| 43 43 | 
             
                    version: "0"
         | 
| 44 44 | 
             
                version: 
         | 
| 45 | 
            -
             | 
| 45 | 
            +
            - !ruby/object:Gem::Dependency 
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| 46 | 
            +
              name: spec-more
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| 47 | 
            +
              type: :development
         | 
| 48 | 
            +
              version_requirement: 
         | 
| 49 | 
            +
              version_requirements: !ruby/object:Gem::Requirement 
         | 
| 50 | 
            +
                requirements: 
         | 
| 51 | 
            +
                - - ">="
         | 
| 52 | 
            +
                  - !ruby/object:Gem::Version 
         | 
| 53 | 
            +
                    version: "0"
         | 
| 54 | 
            +
                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.
         | 
| 46 56 | 
             
            email: jtprince@gmail.com
         | 
| 47 57 | 
             
            executables: 
         | 
| 48 58 | 
             
            - base64_to_array.rb
         | 
| 49 | 
            -
            - ms_to_obiwarp.rb
         | 
| 50 59 | 
             
            - ms_to_search.rb
         | 
| 60 | 
            +
            - ms_to_obiwarp.rb
         | 
| 51 61 | 
             
            extensions: []
         | 
| 52 62 |  | 
| 53 63 | 
             
            extra_rdoc_files: 
         | 
| 54 | 
            -
            - README
         | 
| 55 64 | 
             
            - LICENSE
         | 
| 65 | 
            +
            - README.rdoc
         | 
| 56 66 | 
             
            files: 
         | 
| 67 | 
            +
            - .gitignore
         | 
| 68 | 
            +
            - .gitmodules
         | 
| 69 | 
            +
            - History
         | 
| 70 | 
            +
            - LICENSE
         | 
| 71 | 
            +
            - README.rdoc
         | 
| 72 | 
            +
            - Rakefile
         | 
| 73 | 
            +
            - VERSION
         | 
| 74 | 
            +
            - bin/base64_to_array.rb
         | 
| 75 | 
            +
            - bin/ms_to_obiwarp.rb
         | 
| 76 | 
            +
            - bin/ms_to_search.rb
         | 
| 57 77 | 
             
            - lib/lmat.rb
         | 
| 58 | 
            -
            - lib/ms/ | 
| 59 | 
            -
            - lib/ms/spectrum/compare.rb
         | 
| 60 | 
            -
            - lib/ms/scan.rb
         | 
| 61 | 
            -
            - lib/ms/msrun/sha1.rb
         | 
| 62 | 
            -
            - lib/ms/msrun/regexp/mzxml.rb
         | 
| 63 | 
            -
            - lib/ms/msrun/search.rb
         | 
| 64 | 
            -
            - lib/ms/msrun/index.rb
         | 
| 65 | 
            -
            - lib/ms/msrun/nokogiri/mzxml.rb
         | 
| 78 | 
            +
            - lib/ms/msrun.rb
         | 
| 66 79 | 
             
            - lib/ms/msrun/axml/mzxml.rb
         | 
| 80 | 
            +
            - lib/ms/msrun/index.rb
         | 
| 67 81 | 
             
            - lib/ms/msrun/mzxml.rb
         | 
| 68 82 | 
             
            - lib/ms/msrun/nokogiri.rb
         | 
| 69 | 
            -
            - lib/ms/ | 
| 83 | 
            +
            - lib/ms/msrun/nokogiri/mzxml.rb
         | 
| 84 | 
            +
            - lib/ms/msrun/regexp/mzxml.rb
         | 
| 85 | 
            +
            - lib/ms/msrun/search.rb
         | 
| 86 | 
            +
            - lib/ms/msrun/search_dev_notes.txt
         | 
| 87 | 
            +
            - lib/ms/msrun/sha1.rb
         | 
| 70 88 | 
             
            - lib/ms/mzxml.rb
         | 
| 71 | 
            -
            - lib/ms/ | 
| 89 | 
            +
            - lib/ms/precursor.rb
         | 
| 72 90 | 
             
            - lib/ms/precursor/lazy_parent.rb
         | 
| 73 | 
            -
            -  | 
| 74 | 
            -
            -  | 
| 75 | 
            -
            -  | 
| 91 | 
            +
            - lib/ms/scan.rb
         | 
| 92 | 
            +
            - lib/ms/spectrum/compare.rb
         | 
| 93 | 
            +
            - lib/ms/spectrum/filter.rb
         | 
| 94 | 
            +
            - spec/lmat_spec.rb
         | 
| 95 | 
            +
            - spec/metadata/opd1/000.v1.mzXML.yml
         | 
| 96 | 
            +
            - spec/metadata/opd1/000.v2.1.mzXML.yml
         | 
| 97 | 
            +
            - spec/metadata/opd1/020.mzData.xml.yml
         | 
| 98 | 
            +
            - 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
         | 
| 126 | 
            +
            - spec/testfiles/opd1/020.v2.0.readw.mzXML.key.yml
         | 
| 76 127 | 
             
            has_rdoc: true
         | 
| 77 | 
            -
            homepage: http:// | 
| 128 | 
            +
            homepage: http://jtprince.github.com/ms-msrun/
         | 
| 78 129 | 
             
            licenses: []
         | 
| 79 130 |  | 
| 80 131 | 
             
            post_install_message: 
         | 
| 81 132 | 
             
            rdoc_options: 
         | 
| 82 | 
            -
            - -- | 
| 83 | 
            -
            - README
         | 
| 84 | 
            -
            - --title
         | 
| 85 | 
            -
            - ms-msrun
         | 
| 86 | 
            -
            - --line-numbers
         | 
| 87 | 
            -
            - --inline-source
         | 
| 133 | 
            +
            - --charset=UTF-8
         | 
| 88 134 | 
             
            require_paths: 
         | 
| 89 135 | 
             
            - lib
         | 
| 90 136 | 
             
            required_ruby_version: !ruby/object:Gem::Requirement 
         | 
| @@ -102,17 +148,22 @@ required_rubygems_version: !ruby/object:Gem::Requirement | |
| 102 148 | 
             
            requirements: []
         | 
| 103 149 |  | 
| 104 150 | 
             
            rubyforge_project: mspire
         | 
| 105 | 
            -
            rubygems_version: 1.3. | 
| 151 | 
            +
            rubygems_version: 1.3.5
         | 
| 106 152 | 
             
            signing_key: 
         | 
| 107 153 | 
             
            specification_version: 3
         | 
| 108 | 
            -
            summary:  | 
| 154 | 
            +
            summary: an mspire library for working with LC/MS runs (mzxml, mzData, mzML)
         | 
| 109 155 | 
             
            test_files: 
         | 
| 110 | 
            -
            - spec/ms/ | 
| 111 | 
            -
            - spec/ms/ | 
| 156 | 
            +
            - 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
         | 
| 161 | 
            +
            - spec/ms/msrun/hpricot.rb
         | 
| 115 162 | 
             
            - spec/ms/msrun/scan_spec.rb
         | 
| 116 | 
            -
            - spec/ms/ | 
| 117 | 
            -
            - spec/ms/ | 
| 163 | 
            +
            - spec/ms/msrun/sha1_spec.rb
         | 
| 164 | 
            +
            - spec/ms/msrun/test_parsing_xml_frags/parse_test.rb
         | 
| 165 | 
            +
            - spec/ms/msrun/test_parsing_xml_frags/test_failures.rb
         | 
| 166 | 
            +
            - spec/ms/spectrum/compare_spec.rb
         | 
| 167 | 
            +
            - spec/ms/spectrum/filter_spec.rb
         | 
| 118 168 | 
             
            - spec/lmat_spec.rb
         | 
| 169 | 
            +
            - spec/spec_helper.rb
         |