diff options
Diffstat (limited to 'lib/transform.rb')
| -rw-r--r-- | lib/transform.rb | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/lib/transform.rb b/lib/transform.rb index 8fe1093..8632f6c 100644 --- a/lib/transform.rb +++ b/lib/transform.rb @@ -396,7 +396,7 @@ module OpenTox @q_prop = gsl_q_prop_orig.row(0).to_a end - LOGGER.debug "F: #{@n_prop.size}x#{@n_prop[0].size}; R: #{@q_prop.size}" + LOGGER.debug "F: #{@n_prop.size}x#{@n_prop[0].size}; R: #{@q_prop.size}" if (@n_prop && @n_prop[0] && @q_prop) LOGGER.debug "Sims: #{@sims.size}, Acts: #{@acts.size}" @sims = [ gram_matrix, @sims ] @@ -490,8 +490,10 @@ module OpenTox @cmpds = []; @fps = []; @acts = []; @n_prop = []; @q_prop = [] - @model.fingerprints.each { |fp| - cmpd = fp[0]; fp = fp[1] + # Major BUG! Must loop over @model.compounds, hash is unordered! + # @model.fingerprints.each + @model.compounds.each { |cmpd| + fp = @model.fingerprints[cmpd] if @model.activities[cmpd] # row good acts = @model.activities[cmpd]; @acts += acts LOGGER.debug "#{acts.size} activities for '#{cmpd}'" if acts.size > 1 |