diff options
Diffstat (limited to 'lib/algorithm.rb')
| -rw-r--r-- | lib/algorithm.rb | 29 |
1 files changed, 26 insertions, 3 deletions
diff --git a/lib/algorithm.rb b/lib/algorithm.rb index 64fa508..54bb371 100644 --- a/lib/algorithm.rb +++ b/lib/algorithm.rb @@ -75,7 +75,7 @@ module OpenTox end end - def add_fminer_data(fminer_instance, value_map, prepare_backend=true) + def add_fminer_data(fminer_instance, value_map) # detect nr duplicates per compound @@ -119,8 +119,8 @@ module OpenTox activity= values[i].to_f end begin - fminer_instance.AddCompound(smiles,id) if prepare_backend - fminer_instance.AddActivity(activity, id) if prepare_backend + fminer_instance.AddCompound(smiles,id) if fminer_instance + fminer_instance.AddActivity(activity, id) if fminer_instance @all_activities[id]=activity # DV: insert global information @compounds[id] = compound @smi[id] = smiles @@ -579,3 +579,26 @@ module OpenTox end end end + +class Array + # collect method extended for parallel processing. + # Note: assign return value as: ans = arr.pcollect(n) { |obj| ... } + # @param n the number of processes to spawn (default: unlimited) + def pcollect(n = nil) + nproc = 0 + result = collect do |*a| + r, w = IO.pipe + fork do + r.close + w.write( Marshal.dump( yield(*a) ) ) + end + if n and (nproc+=1) >= n + Process.wait ; nproc -= 1 + end + [ w.close, r ].last + end + Process.waitall + result.collect{|r| Marshal.load [ r.read, r.close ].first} + end +end + |