diff options
Diffstat (limited to 'lib/transform.rb')
| -rw-r--r-- | lib/transform.rb | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/lib/transform.rb b/lib/transform.rb index cb4fc87..752f448 100644 --- a/lib/transform.rb +++ b/lib/transform.rb @@ -242,6 +242,7 @@ module OpenTox # Transforms the model def transform get_matrices # creates @n_prop, @q_prop, @activities from ordered fingerprints + puts "MATRIX" @ids = (0..((@n_prop.length)-1)).to_a # surviving compounds; become neighbors if (@model.similarity_algorithm =~ /cosine/) @@ -276,13 +277,16 @@ module OpenTox @q_prop = svd.transform(gsl_q_prop).row(0).to_a $logger.debug "S: #{@n_prop.size}x#{@n_prop[0].size}; R: #{@q_prop.size}" else + puts "CONVERT NILS" convert_nils # convert nil cells (for tanimoto); leave @n_props, @q_props, @ids untouched end # neighbor calculation @ids = [] # surviving compounds become neighbors @sims = [] # calculated by neighbor routine + puts "NEIGHBORS" neighbors + puts "NEIGHBORS FINISHED" n_prop_tmp = []; @ids.each { |idx| n_prop_tmp << @n_prop[idx] }; @n_prop = n_prop_tmp # select neighbors from matrix acts_tmp = []; @ids.each { |idx| acts_tmp << @activities[idx] }; @activities = acts_tmp |