Updated the function submit_query_input_in_chunks, but reducing the number of initial jobs, the default slice length, and adding an if block to control the submission of the first batch of jobs
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Gemfile
2
Gemfile
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@ -1,5 +1,5 @@
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source "https://rubygems.org"
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#ruby-2.3.0-dev
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#ruby-2.3.0
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gem 'rest-client'
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gem 'yard'
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@ -150,68 +150,78 @@ module ClassyFireAPI
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# @param: slice_length [Integer] The maximum number of entries for each query input (the whole file
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# is fragmented into n part of #slice_length entries each).
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# @param: start [Integer] The starting index. Submit framgments from the index 'start'.
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def ClassyFireAPI.submit_query_input_in_chunks(input_file,slice_length=1000, start=1, type='STRUCTURE')
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def ClassyFireAPI.submit_query_input_in_chunks(input_file,slice_length=10, start=1, type='STRUCTURE')
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@start_time = Time.now
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absolute_path = File.expand_path(input_file)
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f = File.open(absolute_path, 'r')
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input = []
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lines = File.readlines(absolute_path)
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puts lines.length, lines[0]
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i = 0
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lines.uniq.each do |line|
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i += 1
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sline = line.strip.split("\t")
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if sline.length == 1
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input <<"#{sline[0]}"
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elsif sline.length == 2
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elsif sline.length >= 2
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#ID\tSMILES (OR INCHI, OR VALID IUPAC NAME)
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input <<"#{sline[0]}\t#{sline[1]}"
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end
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# input <<"#{sline[0]}"
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end
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# puts "=============",input.length, input[0]
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query_ids = []
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subdivised_groups = input.uniq.each_slice(slice_length).to_a
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puts "nr of subdivised_groups: #{subdivised_groups.length}"
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# puts subdivised_groups[0]
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sleeping_time = 240
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initial_nr_of_jobs = 30
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sleeping_time = 60
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initial_nr_of_jobs = 2
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i = start
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while i < initial_nr_of_jobs
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if i < initial_nr_of_jobs
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while i < initial_nr_of_jobs
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title = File.basename(absolute_path).split(".")[0] + "_yannick" + "_part_#{i}"
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title = File.basename(absolute_path).split(".")[0] + "_yannick" + "_part_#{i}"
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if i <= subdivised_groups.length
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puts "\n\n\n\n---------------------- -----------"
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begin
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puts "submitting #{title}"
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# puts subdivised_groups[i-1].join("\n")
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q = submit_query(title,subdivised_groups[i-1].join("\n"),type)
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# puts q
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query_ids << JSON.parse(q)['id']
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rescue Exception => e
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puts e.message
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puts e.backtrace.inspect
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if i <= subdivised_groups.length
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puts "\n\n\n\n---------------------- -----------"
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begin
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puts "submitting #{title}"
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# puts subdivised_groups[i-1].join("\n")
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q = submit_query(title,subdivised_groups[i-1].join("\n"),type)
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puts JSON.parse(q)['id']
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query_ids << JSON.parse(q)['id']
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sleep(10)
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rescue Exception => e
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puts e.message
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puts e.backtrace.inspect
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end
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i = i + 1
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else
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break
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end
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i = i + 1
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else
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break
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query_ids
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end
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puts "Going to sleep at #{Time.now - @start_time} for #{sleeping_time} s."
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sleep(sleeping_time)
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puts "Waking up at #{Time.now - @start_time}"
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end
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puts "Going to sleep at #{Time.now - @start_time} for #{sleeping_time} s."
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sleep(sleeping_time)
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puts "Waking up at #{Time.now - @start_time}"
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while i >= initial_nr_of_jobs && i < subdivised_groups.length
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k = 0
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for k in (i..(i + initial_nr_of_jobs))
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for k in (i...(i + initial_nr_of_jobs))
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title = File.basename(absolute_path).split(".")[0] + "_yannick" + "_part_#{k}"
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i = i + 1
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begin
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puts "submitting #{title}"
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q = submit_query(title,subdivised_groups[k-1].join("\n"),type)
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puts JSON.parse(q)['id']
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query_ids << JSON.parse(q)['id']
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sleep(10)
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rescue Exception => e
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puts e.message
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puts e.backtrace.inspect
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@ -222,6 +232,7 @@ module ClassyFireAPI
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sleep(sleeping_time)
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puts "Waking up at #{Time.now - @start_time}"
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end
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end
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# Takes each file in a folder, and submit the contained structures in bluks of a given size.
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