diff options
Diffstat (limited to 'lib/transform.rb')
| -rw-r--r-- | lib/transform.rb | 6 |
1 files changed, 4 insertions, 2 deletions
diff --git a/lib/transform.rb b/lib/transform.rb index cb530a3..8632f6c 100644 --- a/lib/transform.rb +++ b/lib/transform.rb @@ -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 |