ms-in_silico 0.1.0 → 0.2.0

data/lib/ms/in_silico/spectrum.rb

@@ -112,6 +112,9 @@ module Ms
         # hash of (residue, locations) pairs which indicate the
         # indicies at which the residue occurs in sequence. The
         # ladder corresponds to the M values described above.
+        # Characters in the sequence that do not add mass, such
+        # as whitespace, are skipped and do not add an entry to
+        # the ladder.
         #  
         # Returns [ladder, {residue => locations}].
         #
@@ -132,10 +135,14 @@ module Ms
           mass = 0
           ladder = []
           sequence.each_byte do |byte|
-            mass += masses_by_byte[byte]
-            location = locations[byte]
-
-            location << ladder.length if location
+            # check a mass is added... if not (as for whitespace) 
+            # then skip to the next byte
+            next if (mass == (mass += masses_by_byte[byte]))
+            
+            if location = locations[byte]
+              location << ladder.length
+            end
+            
             ladder << mass
           end
 

metadata

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification 
 name: ms-in_silico
 version: !ruby/object:Gem::Version 
-  version: 0.1.0
+  version: 0.2.0
 platform: ruby
 authors: 
 - Simon Chiang
@@ -9,7 +9,7 @@ autorequire:
 bindir: bin
 cert_chain: []
 
-date: 2008-11-20 00:00:00 -07:00
+date: 2008-12-03 00:00:00 -07:00
 default_executable: 
 dependencies: 
 - !ruby/object:Gem::Dependency 
@@ -72,7 +72,7 @@ required_rubygems_version: !ruby/object:Gem::Requirement
 requirements: []
 
 rubyforge_project: mspire
-rubygems_version: 1.3.0
+rubygems_version: 1.3.1
 signing_key: 
 specification_version: 2
 summary: ms-in_silico task library