labimotion 1.4.0.rc9 → 1.4.0.rc11

checksums.yaml

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

@@ -35,6 +35,31 @@ module Labimotion
         end
       end
 
+      resource :structure do
+        helpers do
+          def convert_structure(molfile)
+            molecule_viewer = Matrice.molecule_viewer
+            if molecule_viewer.blank? || molecule_viewer[:chembox_endpoint].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 }
+            end
+          end
+        end
+        desc 'convert molfile to 3d'
+        params do
+          requires :molfile, type: String, desc: 'Molecule molfile'
+        end
+        post do
+          convert_structure(params[:molfile])
+        rescue StandardError => e
+          # return { msg: { level: 'error', message: e } }
+          { molfile: params[:molfile], msg: { level: 'error', message: e } }
+        end
+      end
+
       resource :options do
         before do
           error!(401) unless current_user.profile&.data['converter_admin'] == true

data/lib/labimotion/helpers/segment_helpers.rb

@@ -11,7 +11,7 @@ module Labimotion
     def klass_list(el_klass, is_active=false)
       scope = Labimotion::SegmentKlass.all
       scope = scope.where(is_active: is_active) if is_active.present? && is_active == true
-      scope = scope.joins(:element_klass).where(klass_element: params[:element], is_active: true) if el_klass.present?
+      scope = scope.joins(:element_klass).where(klass_element: params[:element], is_active: true).preload(:element_klass) if el_klass.present?
       scope.order('place') || []
     end
 

data/lib/labimotion/version.rb

@@ -2,5 +2,5 @@
 
 ## Labimotion Version
 module Labimotion
-  VERSION = '1.4.0.rc9'
+  VERSION = '1.4.0.rc11'
 end

metadata

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification
 name: labimotion
 version: !ruby/object:Gem::Version
-  version: 1.4.0.rc9
+  version: 1.4.0.rc11
 platform: ruby
 authors:
 - Chia-Lin Lin
@@ -9,7 +9,7 @@ authors:
 autorequire: 
 bindir: bin
 cert_chain: []
-date: 2024-07-22 00:00:00.000000000 Z
+date: 2024-08-22 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: rails