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| author | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-30 17:26:59 +0100 |
|---|---|---|
| committer | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-30 17:26:59 +0100 |
| commit | d61f78093f4ddf03c27a2c8ae0bab9c1f10c80f5 (patch) | |
| tree | 5e04969abc61ba1cc0f889ea3a4b2496878741c1 /lib/compound.rb | |
| parent | d7d57cb83dbc78b2aade173bde5fa893ebf634fe (diff) | |
tests fixed
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 10 |
1 files changed, 0 insertions, 10 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 9c07626..8b4bb48 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -10,7 +10,6 @@ module OpenTox field :inchikey, type: String field :names, type: Array field :cid, type: String - #field :chemblid, type: String field :png_id, type: BSON::ObjectId field :svg_id, type: BSON::ObjectId field :sdf_id, type: BSON::ObjectId @@ -232,15 +231,6 @@ module OpenTox self["cid"] end -=begin - # Get ChEMBL database compound id, obtained via REST call to ChEMBL - # @return [String] - def chemblid - update(:chemblid => JSON.parse(RestClientWrapper.get(File.join CHEMBL_URI,URI.escape(smiles)+".json"))["molecule_chembl_id"]) - self["chemblid"] - end -=end - def db_neighbors min_sim: 0.2, dataset_id: #p fingerprints[DEFAULT_FINGERPRINT] # from http://blog.matt-swain.com/post/87093745652/chemical-similarity-search-in-mongodb |