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authorChristoph Helma <helma@in-silico.ch>2016-05-31 18:08:08 +0200
committerChristoph Helma <helma@in-silico.ch>2016-05-31 18:08:08 +0200
commitb515a0cfedb887a2af753db6e4a08ae1af430cad (patch)
tree5d69d89d0031d581e932272aeb741ee38a0106d6 /lib/compound.rb
parentf46ba3b7262f5b551c81fc9396c5b7f0cac7f030 (diff)
cleanup of validation modules/classes
Diffstat (limited to 'lib/compound.rb')
-rw-r--r--lib/compound.rb6
1 files changed, 3 insertions, 3 deletions
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}}},