labimotion 1.4.0.rc11 → 1.4.0.rc12

checksums.yaml

@@ -1,7 +1,7 @@
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data/lib/labimotion/apis/converter_api.rb

@@ -39,24 +39,28 @@ module Labimotion
         helpers do
           def convert_structure(molfile)
             molecule_viewer = Matrice.molecule_viewer
-            if molecule_viewer.blank? || molecule_viewer[:chembox_endpoint].blank?
+            if molecule_viewer.blank? || molecule_viewer[:chembox_api].blank?
               { molfile: molfile }
             else
               options = { timeout: 10, body: { mol: molfile }.to_json, headers: { 'Content-Type' => 'application/json' } }
-              response = HTTParty.post(molecule_viewer[:chembox_endpoint], options)
-              response.code == 200 ? { molfile: response.parsed_response } : { molfile: molfile }
+              response = HTTParty.post("#{molecule_viewer[:chembox_api]}/core/rdkit/v1/structure", options)
+              if response.code == 200
+                { molfile: (response.parsed_response && response.parsed_response['molfile']) || molfile }
+              else
+                { molfile: molfile }
+              end
             end
           end
         end
         desc 'convert molfile to 3d'
         params do
-          requires :molfile, type: String, desc: 'Molecule molfile'
+          requires :mol, type: String, desc: 'Molecule molfile'
         end
         post do
-          convert_structure(params[:molfile])
+          convert_structure(params[:mol])
         rescue StandardError => e
           # return { msg: { level: 'error', message: e } }
-          { molfile: params[:molfile], msg: { level: 'error', message: e } }
+          { molfile: params[:mol], msg: { level: 'error', message: e } }
         end
       end
 

data/lib/labimotion/version.rb

@@ -2,5 +2,5 @@
 
 ## Labimotion Version
 module Labimotion
-  VERSION = '1.4.0.rc11'
+  VERSION = '1.4.0.rc12'
 end

metadata

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification
 name: labimotion
 version: !ruby/object:Gem::Version
-  version: 1.4.0.rc11
+  version: 1.4.0.rc12
 platform: ruby
 authors:
 - Chia-Lin Lin