From b515a0cfedb887a2af753db6e4a08ae1af430cad Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Tue, 31 May 2016 18:08:08 +0200 Subject: cleanup of validation modules/classes --- lib/compound.rb | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) (limited to 'lib/compound.rb') diff --git a/lib/compound.rb b/lib/compound.rb index a87678e..4541816 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -260,7 +260,7 @@ module OpenTox if type == DEFAULT_FINGERPRINT neighbors = db_neighbors(min_sim: min_sim, dataset_id: dataset_id) neighbors.each do |n| - n["toxicities"] = dataset.values(n["_id"],prediction_feature_id) + n["measurements"] = dataset.values(n["_id"],prediction_feature_id) end else query_fingerprint = self.fingerprint type @@ -269,7 +269,7 @@ module OpenTox if values candidate_fingerprint = compound.fingerprint type sim = Algorithm::Similarity.tanimoto(query_fingerprint , candidate_fingerprint) - neighbors << {"_id" => compound.id, "toxicities" => values, "similarity" => sim} if sim >= min_sim + neighbors << {"_id" => compound.id, "measurements" => values, "similarity" => sim} if sim >= min_sim end end end @@ -310,7 +310,7 @@ module OpenTox 'in' => {'$divide' => ['$$common', {'$subtract' => [{'$add' => [default_fingerprint_size, '$default_fingerprint_size']}, '$$common']}]} }}, '_id' => 1, - #'toxicities' => 1, + #'measurements' => 1, 'dataset_ids' => 1 }}, {'$match' => {'similarity' => {'$gte' => min_sim}}}, -- cgit v1.2.3