ms-in_silico 0.1.0 → 0.2.0
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- data/lib/ms/in_silico/spectrum.rb +11 -4
- metadata +3 -3
| @@ -112,6 +112,9 @@ module Ms | |
| 112 112 | 
             
                    # hash of (residue, locations) pairs which indicate the
         | 
| 113 113 | 
             
                    # indicies at which the residue occurs in sequence. The
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| 114 114 | 
             
                    # ladder corresponds to the M values described above.
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| 115 | 
            +
                    # Characters in the sequence that do not add mass, such
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| 116 | 
            +
                    # as whitespace, are skipped and do not add an entry to
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| 117 | 
            +
                    # the ladder.
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| 115 118 | 
             
                    #  
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| 116 119 | 
             
                    # Returns [ladder, {residue => locations}].
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| 117 120 | 
             
                    #
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| @@ -132,10 +135,14 @@ module Ms | |
| 132 135 | 
             
                      mass = 0
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| 133 136 | 
             
                      ladder = []
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| 134 137 | 
             
                      sequence.each_byte do |byte|
         | 
| 135 | 
            -
                        mass  | 
| 136 | 
            -
                         | 
| 137 | 
            -
             | 
| 138 | 
            -
                         | 
| 138 | 
            +
                        # check a mass is added... if not (as for whitespace) 
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| 139 | 
            +
                        # then skip to the next byte
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| 140 | 
            +
                        next if (mass == (mass += masses_by_byte[byte]))
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| 141 | 
            +
                        
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| 142 | 
            +
                        if location = locations[byte]
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| 143 | 
            +
                          location << ladder.length
         | 
| 144 | 
            +
                        end
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| 145 | 
            +
                        
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| 139 146 | 
             
                        ladder << mass
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| 140 147 | 
             
                      end
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| 141 148 |  | 
    
        metadata
    CHANGED
    
    | @@ -1,7 +1,7 @@ | |
| 1 1 | 
             
            --- !ruby/object:Gem::Specification 
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| 2 2 | 
             
            name: ms-in_silico
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| 3 3 | 
             
            version: !ruby/object:Gem::Version 
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| 4 | 
            -
              version: 0. | 
| 4 | 
            +
              version: 0.2.0
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| 5 5 | 
             
            platform: ruby
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| 6 6 | 
             
            authors: 
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| 7 7 | 
             
            - Simon Chiang
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| @@ -9,7 +9,7 @@ autorequire: | |
| 9 9 | 
             
            bindir: bin
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| 10 10 | 
             
            cert_chain: []
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| 11 11 |  | 
| 12 | 
            -
            date: 2008- | 
| 12 | 
            +
            date: 2008-12-03 00:00:00 -07:00
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| 13 13 | 
             
            default_executable: 
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| 14 14 | 
             
            dependencies: 
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| 15 15 | 
             
            - !ruby/object:Gem::Dependency 
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| @@ -72,7 +72,7 @@ required_rubygems_version: !ruby/object:Gem::Requirement | |
| 72 72 | 
             
            requirements: []
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| 73 73 |  | 
| 74 74 | 
             
            rubyforge_project: mspire
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| 75 | 
            -
            rubygems_version: 1.3. | 
| 75 | 
            +
            rubygems_version: 1.3.1
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| 76 76 | 
             
            signing_key: 
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| 77 77 | 
             
            specification_version: 2
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| 78 78 | 
             
            summary: ms-in_silico task library
         |