labimotion 1.4.0.rc11 → 1.4.0

checksums.yaml

@@ -1,7 +1,7 @@
 ---
 SHA256:
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-  data.tar.gz: 5b012425c3faf3921be54879ceb7dbae3f9e73a3cfbdc1c6bff8155d3e5ec206
+  metadata.gz: 0d5a4e5bede72cabd2f16bd75fbf033750939bbcb7cce96a4290382ddfd1026e
+  data.tar.gz: 86575f263c012a3c68a554d015ee94865ec145e31f62bcd7809d13c87837f13b
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+  data.tar.gz: 7042d287f388a5cd7e2b40c98092e61a60352e7eb7f9da9900c1fee1b5e0b4a4223deae5ba8bfe109940e4d429c053e10a5f3aef84ca0c4453ba339ab2d7dd25

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'
 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
 platform: ruby
 authors:
 - Chia-Lin Lin
@@ -123,9 +123,9 @@ required_ruby_version: !ruby/object:Gem::Requirement
       version: '0'
 required_rubygems_version: !ruby/object:Gem::Requirement
   requirements:
-  - - ">"
+  - - ">="
     - !ruby/object:Gem::Version
-      version: 1.3.1
+      version: '0'
 requirements: []
 rubygems_version: 3.1.6
 signing_key: