diff options
Diffstat (limited to 'lib/dataset.rb')
| -rw-r--r-- | lib/dataset.rb | 15 |
1 files changed, 9 insertions, 6 deletions
diff --git a/lib/dataset.rb b/lib/dataset.rb index 9b24440..86800c6 100644 --- a/lib/dataset.rb +++ b/lib/dataset.rb @@ -64,6 +64,9 @@ module OpenTox dataset = self.class.create(:substance_ids => cids, :feature_ids => feature_ids, :source => self.id ) dataset.compounds.each do |compound| compound.dataset_ids << dataset.id + compound.toxicities.each do |feature_id,data| + data[dataset.id.to_s] = data[self.id.to_s] # copy data entries + end compound.save end dataset @@ -92,7 +95,7 @@ module OpenTox else name = substance.name end - nr_measurements = features.collect{|f| substance.toxicities[f.id.to_s].size if substance.toxicities[f.id.to_s]}.compact.uniq + nr_measurements = features.collect{|f| substance.toxicities[f.id.to_s][self.id.to_s].size if substance.toxicities[f.id.to_s]}.compact.uniq if nr_measurements.size > 1 warn "Unequal number of measurements (#{nr_measurements}) for '#{name}'. Skipping entries." @@ -100,8 +103,8 @@ module OpenTox (0..nr_measurements.first-1).each do |i| row = [name] features.each do |f| - if substance.toxicities[f.id.to_s] - row << substance.toxicities[f.id.to_s][i] + if substance.toxicities[f.id.to_s] and substance.toxicities[f.id.to_s][self.id.to_s] + row << substance.toxicities[f.id.to_s][self.id.to_s][i] else row << "" end @@ -149,7 +152,6 @@ module OpenTox feature_names = table.shift.collect{|f| f.strip} warnings << "Duplicated features in table header." unless feature_names.size == feature_names.uniq.size compound_format = feature_names.shift.strip - # TODO nanoparticles bad_request_error "#{compound_format} is not a supported compound format. Accepted formats: SMILES, InChI." unless compound_format =~ /SMILES|InChI/i numeric = [] # guess feature types @@ -219,8 +221,9 @@ module OpenTox else v = v.strip end - compound.toxicities[feature_ids[j].to_s] ||= [] - compound.toxicities[feature_ids[j].to_s] << v + compound.toxicities[feature_ids[j].to_s] ||= {} + compound.toxicities[feature_ids[j].to_s][self.id.to_s] ||= [] + compound.toxicities[feature_ids[j].to_s][self.id.to_s] << v compound.save end end |