diff options
Diffstat (limited to 'batch.rb')
| -rw-r--r-- | batch.rb | 14 |
1 files changed, 12 insertions, 2 deletions
@@ -65,12 +65,22 @@ module OpenTox compound = nil end if compound.nil? # compound parsers may return nil - #warn "Cannot parse #{compound_format} compound '#{identifier}' at line #{i+2} of #{source}, all entries are ignored." - batch.compounds << "Cannot parse #{compound_format} compound '#{identifier}' at line #{i+2} of #{source}." + batch.warnings << "Cannot parse #{compound_format} compound '#{identifier}' at line #{i+2} of #{source}." next end batch.compounds << compound.id end + batch.compounds.duplicates.each do |duplicate| + dup = Compound.find duplicate + positions = [] + batch.compounds.each_with_index do |co,i| + c = Compound.find co + if !c.blank? and c.inchi and c.inchi == dup.inchi + positions << i+1 + end + end + batch.warnings << "Duplicate compound at ID #{positions.join(' and ')}." + end batch.save end batch |