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authorChristoph Helma <helma@in-silico.ch>2015-07-31 19:25:13 +0200
committerChristoph Helma <helma@in-silico.ch>2015-07-31 19:25:13 +0200
commitf93333d7f5df30875eae9135f4b5e65a98d923b6 (patch)
treeb3812d5e1bf9f09cafd4ea849e93bbb06bc8f1a3
parente68c69f90036bb7c47c57acb1ee3652b73c835c1 (diff)
intermediary commit
-rw-r--r--lib/compound.rb4
-rw-r--r--lib/dataset.rb6
2 files changed, 9 insertions, 1 deletions
diff --git a/lib/compound.rb b/lib/compound.rb
index 4d36915..0c27553 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -1,3 +1,7 @@
+# TODO: check
+# *** Open Babel Error in ParseFile
+# Could not find contribution data file.
+# 3d creation??
CACTUS_URI="http://cactus.nci.nih.gov/chemical/structure/"
require 'openbabel'
require "base64"
diff --git a/lib/dataset.rb b/lib/dataset.rb
index 92ef7b5..38e195b 100644
--- a/lib/dataset.rb
+++ b/lib/dataset.rb
@@ -7,7 +7,11 @@ module OpenTox
field :creator, type: String
end
- class FminerDataset < Dataset
+ class DescriptorDataset < Dataset
+ field :feature_calculation_algorithm, type: String
+ end
+
+ class FminerDataset < DescriptorDataset
field :training_algorithm, type: String
field :training_dataset_id, type: BSON::ObjectId
field :training_feature_id, type: BSON::ObjectId