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authorrautenberg <rautenberg@in-silico.ch>2016-03-14 16:13:33 +0100
committerrautenberg <rautenberg@in-silico.ch>2016-03-14 16:13:33 +0100
commit647e9a00b97259de3fbe89aba3ebfd5b1f489fe4 (patch)
tree68154a8bb592bf6b9829a555daf66f140bf08882
parent8772e255c7613e25ad68550911b3d646bba5f05f (diff)
add list of SMILES to prediction
-rw-r--r--api/api.json4
-rw-r--r--application.rb4
2 files changed, 4 insertions, 4 deletions
diff --git a/api/api.json b/api/api.json
index 1c79845..c90e814 100644
--- a/api/api.json
+++ b/api/api.json
@@ -113,7 +113,7 @@
{
"name": "identifier",
"in": "formData",
- "description": "SMILES identifier",
+ "description": "SMILES identifier or comma seperated list of SMILES identifiers",
"required": true,
"type": "string"
},
@@ -431,4 +431,4 @@
"description": "Compound"
}
]
-} \ No newline at end of file
+}
diff --git a/application.rb b/application.rb
index 93447cf..c60d4fc 100644
--- a/application.rb
+++ b/application.rb
@@ -61,10 +61,10 @@ end
post "/model/:id/?" do
- identifier = params[:identifier]
+ identifier = params[:identifier].split(",")
begin
# get compound from SMILES
- compound = Compound.from_smiles identifier
+ compound = identifier.collect{ |i| Compound.from_smiles i.strip }
rescue
@error_report = "Attention, '#{params[:identifier]}' is not a valid SMILES string."
return @error_report