bio 1.0.0 → 1.1.0

data/lib/bio/util/restriction_enzyme/analysis.rb

@@ -0,0 +1,249 @@
+#
+# bio/util/restriction_enzyme/analysis.rb - Does the work of fragmenting the DNA from the enzymes
+#
+# Author::    Trevor Wennblom  <mailto:trevor@corevx.com>
+# Copyright:: Copyright (c) 2005-2007 Midwinter Laboratories, LLC (http://midwinterlabs.com)
+# License::   The Ruby License
+#
+#  $Id: analysis.rb,v 1.20 2007/07/16 19:28:48 k Exp $
+#
+
+require 'bio/util/restriction_enzyme'
+require 'bio/util/restriction_enzyme/analysis_basic'
+
+module Bio
+class RestrictionEnzyme
+
+class Analysis
+
+  # See cut instance method
+  def self.cut( sequence, *args )
+    self.new.cut( sequence, *args )
+  end
+
+  # See main documentation for Bio::RestrictionEnzyme
+  #
+  #
+  # +cut+ takes into account
+  # permutations of cut variations based on competitiveness of enzymes for an
+  # enzyme cutsite or enzyme bindsite on a sequence.
+  #
+  # Example:
+  #
+  # FIXME add output
+  #
+  #   Bio::RestrictionEnzyme::Analysis.cut('gaattc', 'EcoRI')
+  #
+  # _same as:_
+  #
+  #   Bio::RestrictionEnzyme::Analysis.cut('gaattc', 'g^aattc')
+  # ---
+  # *Arguments*
+  # * +sequence+: +String+ kind of object that will be used as a nucleic acid sequence.
+  # * +args+: Series of enzyme names, enzymes sequences with cut marks, or RestrictionEnzyme objects.
+  # *Returns*:: Bio::RestrictionEnzyme::Fragments object populated with Bio::RestrictionEnzyme::Fragment objects.   (Note: unrelated to Bio::RestrictionEnzyme::Range::SequenceRange::Fragments) or a +Symbol+ containing an error code
+  def cut( sequence, *args )
+    view_ranges = false
+    
+    args.select { |i| i.class == Hash }.each do |hsh|
+      hsh.each do |key, value|
+        if key == :view_ranges
+          unless ( value.kind_of?(TrueClass) or value.kind_of?(FalseClass) )
+            raise ArgumentError, "view_ranges must be set to true or false, currently #{value.inspect}."
+          end
+          view_ranges = value
+        end
+      end
+    end
+    
+    res = cut_and_return_by_permutations( sequence, *args )
+    return res if res.class == Symbol
+    # Format the fragments for the user
+    fragments_for_display( res, view_ranges )
+  end
+
+  #########
+  protected
+  #########
+  
+  # See cut instance method
+  #
+  # ---
+  # *Arguments*
+  # * +sequence+: +String+ kind of object that will be used as a nucleic acid sequence.
+  # * +args+: Series of enzyme names, enzymes sequences with cut marks, or RestrictionEnzyme objects.
+  # May also supply a +Hash+ with the key ":max_permutations" to specificy how many permutations are allowed - a value of 0 indicates no permutations are allowed.
+  # *Returns*:: +Hash+ Keys are a permutation ID, values are SequenceRange objects that have cuts applied.
+  # _also_ may return the +Symbol+ ':sequence_empty', ':no_cuts_found', or ':too_many_permutations'
+  def cut_and_return_by_permutations( sequence, *args )
+    my_hash = {}
+    maximum_permutations = nil
+
+    hashes_in_args = args.select { |i| i.class == Hash }
+    args.delete_if { |i| i.class == Hash }
+    hashes_in_args.each do |hsh|
+      hsh.each do |key, value|
+        case key
+        when :max_permutations, 'max_permutations', :maximum_permutations, 'maximum_permutations'
+          maximum_permutations = value.to_i unless value == nil
+        when :view_ranges
+        else
+          raise ArgumentError, "Received key #{key.inspect} in argument - I only know the key ':max_permutations' and ':view_ranges' currently.  Hash passed: #{hsh.inspect}"
+        end
+      end
+    end
+    
+    if !sequence.kind_of?(String) or sequence.empty?
+      logger.warn "The supplied sequence is empty." if defined?(logger)
+      return :sequence_empty
+    end
+    sequence = Bio::Sequence::NA.new( sequence )
+    
+    enzyme_actions, initial_cuts = create_enzyme_actions( sequence, *args )
+
+    if enzyme_actions.empty? and initial_cuts.empty?
+      logger.warn "This enzyme does not make any cuts on this sequence." if defined?(logger)
+      return :no_cuts_found
+    end
+
+    # * When enzyme_actions.size is equal to '1' that means there are no permutations.
+    # * If enzyme_actions.size is equal to '2' there is one
+    #   permutation ("[0, 1]")
+    # * If enzyme_actions.size is equal to '3' there are two
+    #   permutations ("[0, 1, 2]")
+    # * and so on..
+    if maximum_permutations and enzyme_actions.size > 1
+      if (enzyme_actions.size - 1) > maximum_permutations.to_i
+        logger.warn "More permutations than maximum, skipping.  Found: #{enzyme_actions.size-1}  Max: #{maximum_permutations.to_i}" if defined?(logger)
+        return :too_many_permutations
+      end
+    end
+    
+    if enzyme_actions.size > 1
+      permutations = permute(enzyme_actions.size)
+      
+      permutations.each do |permutation|
+        previous_cut_ranges = []
+        # Primary and complement strands are both measured from '0' to 'sequence.size-1' here
+        sequence_range = Bio::RestrictionEnzyme::Range::SequenceRange.new( 0, 0, sequence.size-1, sequence.size-1 )
+
+        # Add the cuts to the sequence_range from each enzyme_action contained
+        # in initial_cuts.  These are the cuts that have no competition so are
+        # not subject to permutations.
+        initial_cuts.each do |enzyme_action|
+          enzyme_action.cut_ranges.each do |cut_range|
+            sequence_range.add_cut_range(cut_range)
+          end
+        end
+
+        permutation.each do |id|
+          enzyme_action = enzyme_actions[id]
+
+          # conflict is false if the current enzyme action may cut in it's range.
+          # conflict is true if it cannot due to a previous enzyme action making
+          # a cut where this enzyme action needs a whole recognition site.
+          conflict = false
+
+          # If current size of enzyme_action overlaps with previous cut_range, don't cut
+          # note that the enzyme action may fall in the middle of a previous enzyme action
+          # so all cut locations must be checked that would fall underneath.
+          previous_cut_ranges.each do |cut_range|
+            next unless cut_range.class == Bio::RestrictionEnzyme::Range::VerticalCutRange  # we aren't concerned with horizontal cuts
+            previous_cut_left = cut_range.range.first 
+            previous_cut_right = cut_range.range.last
+
+            # Keep in mind: 
+            # * The cut location is to the immediate right of the base located at the index.
+            #   ex: at^gc -- the cut location is at index 1
+            # * The enzyme action location is located at the base of the index.
+            #   ex: atgc -- 0 => 'a', 1 => 't', 2 => 'g', 3 => 'c'
+            # method create_enzyme_actions has similar commentary if interested
+            if (enzyme_action.right <= previous_cut_left) or
+               (enzyme_action.left > previous_cut_right) or
+               (enzyme_action.left > previous_cut_left and enzyme_action.right <= previous_cut_right) # in between cuts
+              # no conflict
+            else
+              conflict = true
+            end
+          end
+
+          next if conflict == true
+          enzyme_action.cut_ranges.each { |cut_range| sequence_range.add_cut_range(cut_range) }
+          previous_cut_ranges += enzyme_action.cut_ranges        
+        end # permutation.each
+
+        # Fill in the source sequence for sequence_range so it knows what bases
+        # to use
+        sequence_range.fragments.primary = sequence
+        sequence_range.fragments.complement = sequence.forward_complement
+        my_hash[permutation] = sequence_range
+      end # permutations.each
+      
+    else # if enzyme_actions.size == 1
+      # no permutations, just do it
+      sequence_range = Bio::RestrictionEnzyme::Range::SequenceRange.new( 0, 0, sequence.size-1, sequence.size-1 )
+      initial_cuts.each { |enzyme_action| enzyme_action.cut_ranges.each { |cut_range| sequence_range.add_cut_range(cut_range) } }
+      sequence_range.fragments.primary = sequence
+      sequence_range.fragments.complement = sequence.forward_complement
+      my_hash[0] = sequence_range
+    end
+
+    my_hash
+  end
+
+
+  # Returns permutation orders for a given number of elements.
+  #
+  # Examples:
+  #   permute(0) # => [[0]]
+  #   permute(1) # => [[0]]
+  #   permute(2) # => [[1, 0], [0, 1]]
+  #   permute(3) # => [[2, 1, 0], [2, 0, 1], [1, 2, 0], [0, 2, 1], [1, 0, 2], [0, 1, 2]]
+  #   permute(4) # => [[3, 2, 1, 0],
+  #                    [3, 2, 0, 1],
+  #                    [3, 1, 2, 0],
+  #                    [3, 0, 2, 1],
+  #                    [3, 1, 0, 2],
+  #                    [3, 0, 1, 2],
+  #                    [2, 3, 1, 0],
+  #                    [2, 3, 0, 1],
+  #                    [1, 3, 2, 0],
+  #                    [0, 3, 2, 1],
+  #                    [1, 3, 0, 2],
+  #                    [0, 3, 1, 2],
+  #                    [2, 1, 3, 0],
+  #                    [2, 0, 3, 1],
+  #                    [1, 2, 3, 0],
+  #                    [0, 2, 3, 1],
+  #                    [1, 0, 3, 2],
+  #                    [0, 1, 3, 2],
+  #                    [2, 1, 0, 3],
+  #                    [2, 0, 1, 3],
+  #                    [1, 2, 0, 3],
+  #                    [0, 2, 1, 3],
+  #                    [1, 0, 2, 3],
+  #                    [0, 1, 2, 3]]
+  #   
+  # ---
+  # *Arguments*
+  # * +count+: +Number+ of different elements to be permuted
+  # * +permutations+: ignore - for the recursive algorithm
+  # *Returns*:: +Array+ of +Array+ objects with different possible permutation orders.  See examples.
+  def permute(count, permutations = [[0]])
+    return permutations if count <= 1
+    new_arrays = []
+    new_array = []
+
+    (permutations[0].size + 1).times do |n|
+      new_array.clear
+      permutations.each { |a| new_array << a.dup }
+      new_array.each { |e| e.insert(n, permutations[0].size) }
+      new_arrays += new_array
+    end
+
+    permute(count-1, new_arrays)
+  end
+
+end # Analysis
+end # RestrictionEnzyme
+end # Bio

data/lib/bio/util/restriction_enzyme/analysis_basic.rb

@@ -0,0 +1,217 @@
+#
+# bio/util/restriction_enzyme/analysis_basic.rb - Does the work of fragmenting the DNA from the enzymes
+#
+# Author::    Trevor Wennblom  <mailto:trevor@corevx.com>
+# Copyright:: Copyright (c) 2005-2007 Midwinter Laboratories, LLC (http://midwinterlabs.com)
+# License::   The Ruby License
+#
+#  $Id: analysis_basic.rb,v 1.16 2007/07/16 19:28:48 k Exp $
+#
+
+require 'set'  # for method create_enzyme_actions
+require 'bio/util/restriction_enzyme'
+
+module Bio
+class RestrictionEnzyme
+
+class Analysis
+
+  # See cut_without_permutations instance method
+  def self.cut_without_permutations( sequence, *args )
+    self.new.cut_without_permutations( sequence, *args )
+  end
+
+  # See main documentation for Bio::RestrictionEnzyme
+  #
+  # Bio::RestrictionEnzyme.cut is preferred over this!
+  #
+  # USE AT YOUR OWN RISK
+  #
+  # This is a simpler version of method +cut+.  +cut+ takes into account
+  # permutations of cut variations based on competitiveness of enzymes for an
+  # enzyme cutsite or enzyme bindsite on a sequence.  This does not take into
+  # account those possibilities and is therefore faster, but less likely to be
+  # accurate.
+  #
+  # This code is mainly included as an academic example
+  # without having to wade through the extra layer of complexity added by the
+  # permutations.
+  # 
+  # Example:
+  #
+  # FIXME add output
+  #
+  #   Bio::RestrictionEnzyme::Analysis.cut_without_permutations('gaattc', 'EcoRI')
+  #
+  # _same as:_
+  #
+  #   Bio::RestrictionEnzyme::Analysis.cut_without_permutations('gaattc', 'g^aattc')
+  # ---
+  # *Arguments*
+  # * +sequence+: +String+ kind of object that will be used as a nucleic acid sequence.
+  # * +args+: Series of enzyme names, enzymes sequences with cut marks, or RestrictionEnzyme objects.
+  # *Returns*:: Bio::RestrictionEnzyme::Fragments object populated with Bio::RestrictionEnzyme::Fragment objects. (Note: unrelated to Bio::RestrictionEnzyme::Range::SequenceRange::Fragments)
+  def cut_without_permutations( sequence, *args )
+    return fragments_for_display( {} ) if !sequence.kind_of?(String) or sequence.empty?
+    sequence = Bio::Sequence::NA.new( sequence )
+
+    # create_enzyme_actions returns two seperate array elements, they're not
+    # needed separated here so we put them into one array
+    enzyme_actions = create_enzyme_actions( sequence, *args ).flatten
+    return fragments_for_display( {} ) if enzyme_actions.empty?
+    
+    # Primary and complement strands are both measured from '0' to 'sequence.size-1' here
+    sequence_range = Bio::RestrictionEnzyme::Range::SequenceRange.new( 0, 0, sequence.size-1, sequence.size-1 )
+    
+    # Add the cuts to the sequence_range from each enzyme_action
+    enzyme_actions.each do |enzyme_action|
+      enzyme_action.cut_ranges.each do |cut_range|
+        sequence_range.add_cut_range(cut_range)
+      end
+    end
+
+    # Fill in the source sequence for sequence_range so it knows what bases
+    # to use
+    sequence_range.fragments.primary = sequence
+    sequence_range.fragments.complement = sequence.forward_complement
+    
+    # Format the fragments for the user
+    fragments_for_display( {0 => sequence_range} )
+  end
+  
+  #########
+  protected
+  #########
+
+  # Take the fragments from SequenceRange objects generated from add_cut_range
+  # and return unique results as a Bio::RestrictionEnzyme::Analysis::Fragment object.
+  # 
+  # ---
+  # *Arguments*
+  # * +hsh+: +Hash+  Keys are a permutation ID, if any.  Values are SequenceRange objects that have cuts applied.
+  # *Returns*:: Bio::RestrictionEnzyme::Analysis::Fragments object populated with Bio::RestrictionEnzyme::Analysis::Fragment objects.
+  def fragments_for_display( hsh, view_ranges=false )
+    ary = Fragments.new
+    return ary unless hsh
+
+    hsh.each do |permutation_id, sequence_range|
+      sequence_range.fragments.for_display.each do |fragment|
+        if view_ranges
+          ary << Bio::RestrictionEnzyme::Fragment.new(fragment.primary, fragment.complement, fragment.p_left, fragment.p_right, fragment.c_left, fragment.c_right)
+        else
+          ary << Bio::RestrictionEnzyme::Fragment.new(fragment.primary, fragment.complement)
+        end
+      end
+    end
+    
+    ary.uniq! unless view_ranges
+    
+    ary
+  end
+
+  # Creates an array of EnzymeActions based on the DNA sequence and supplied enzymes.
+  #
+  # ---
+  # *Arguments*
+  # * +sequence+: The string of DNA to match the enzyme recognition sites against
+  # * +args+:: The enzymes to use.
+  # *Returns*:: +Array+ with the first element being an array of EnzymeAction objects that +sometimes_cut+, and are subject to competition.  The second is an array of EnzymeAction objects that +always_cut+ and are not subject to competition.
+  def create_enzyme_actions( sequence, *args )
+    all_enzyme_actions = []
+    
+    args.each do |enzyme|
+      enzyme = Bio::RestrictionEnzyme.new(enzyme) unless enzyme.class == Bio::RestrictionEnzyme::DoubleStranded
+
+      # make sure pattern is the proper size
+      # for more info see the internal documentation of 
+      # Bio::RestrictionEnzyme::DoubleStranded.create_action_at
+      pattern = Bio::Sequence::NA.new(
+        Bio::RestrictionEnzyme::DoubleStranded::AlignedStrands.align(
+          enzyme.primary, enzyme.complement
+        ).primary
+      ).to_re
+      
+      find_match_locations( sequence, pattern ).each do |offset|
+        all_enzyme_actions << enzyme.create_action_at( offset )
+      end
+    end
+    
+    # FIXME VerticalCutRange should really be called VerticalAndHorizontalCutRange
+    
+    # * all_enzyme_actions is now full of EnzymeActions at specific locations across 
+    #   the sequence.
+    # * all_enzyme_actions will now be examined to see if any EnzymeActions may
+    #   conflict with one another, and if they do they'll be made note of in
+    #   indicies_of_sometimes_cut.  They will then be remove FIXME
+    # * a conflict occurs if another enzyme's bind site is compromised do due
+    #   to another enzyme's cut.  Enzyme's bind sites may overlap and not be
+    #   competitive, however neither bind site may be part of the other
+    #   enzyme's cut or else they do become competitive.
+    #
+    # Take current EnzymeAction's entire bind site and compare it to all other
+    # EzymeAction's cut ranges.  Only look for vertical cuts as boundaries
+    # since trailing horizontal cuts would have no influence on the bind site.
+    #
+    # If example Enzyme A makes this cut pattern (cut range 2..5):
+    #
+    # 0 1 2|3 4 5 6 7
+    #      +-----+
+    # 0 1 2 3 4 5|6 7
+    #
+    # Then the bind site (and EnzymeAction range) for Enzyme B would need it's
+    # right side to be at index 2 or less, or it's left side to be 6 or greater.
+    
+    competition_indexes = Set.new
+
+    all_enzyme_actions[0..-2].each_with_index do |current_enzyme_action, i|
+      next if competition_indexes.include? i
+      next if current_enzyme_action.cut_ranges.empty?  # no cuts, some enzymes are like this (ex. CjuI)
+      
+      all_enzyme_actions[i+1..-1].each_with_index do |comparison_enzyme_action, j|
+        j += (i + 1)
+        next if competition_indexes.include? j
+        next if comparison_enzyme_action.cut_ranges.empty?  # no cuts
+        
+        if (current_enzyme_action.right <= comparison_enzyme_action.cut_ranges.min_vertical) or
+           (current_enzyme_action.left > comparison_enzyme_action.cut_ranges.max_vertical)
+          # no conflict
+        else
+          competition_indexes += [i, j] # merge both indexes into the flat set
+        end
+      end
+    end
+        
+    sometimes_cut = all_enzyme_actions.values_at( *competition_indexes )
+    always_cut = all_enzyme_actions
+    always_cut.delete_if {|x| sometimes_cut.include? x }
+
+    [sometimes_cut, always_cut]
+  end
+
+  # Returns an +Array+ of the match indicies of a +RegExp+ to a string.
+  #
+  # Example:
+  #
+  #   find_match_locations('abccdefeg', /[ce]/) # => [2,3,5,7]
+  #
+  # ---
+  # *Arguments*
+  # * +string+: The string to scan
+  # * +re+: A RegExp to use
+  # *Returns*:: +Array+ with indicies of match locations
+  def find_match_locations( string, re )
+    md = string.match( re )
+    locations = []
+    counter = 0
+    while md
+      # save the match index relative to the original string
+      locations << (counter += md.begin(0))
+      # find the next match
+      md = string[ (counter += 1)..-1 ].match( re )
+    end
+    locations
+  end
+  
+end # Analysis
+end # RestrictionEnzyme
+end # Bio