feat: sample explorer

app/api/api.rb

@@ -180,6 +180,7 @@ def to_json_camel_case(val)
   mount Chemotion::DevicesAnalysisAPI
   mount Chemotion::GateAPI
   mount Chemotion::ElementAPI
+  mount Chemotion::ExplorerAPI
   mount Chemotion::ChemSpectraAPI
   mount Chemotion::InstrumentAPI
   mount Chemotion::MessageAPI

app/api/chemotion/explorer_api.rb

@@ -0,0 +1,56 @@
+# frozen_string_literal: true
+
+module Chemotion
+  class ExplorerAPI < Grape::API
+
+    resource :explorer do
+      desc 'Fetch samples, reactions, and molecules belonging to a collection'
+
+      params do
+        requires :collection_id, type: Integer, desc: 'ID of the collection to explore'
+      end
+
+      after_validation do
+        @collection = current_user
+                        .collections
+                        .where(is_shared: false)
+                        .find_by(id: params[:collection_id])
+
+        error!({ error: 'Collection not found' }, 404) unless @collection
+      end
+
+      get do
+        samples = @collection
+                    .samples
+                    .select(:id, :ancestry, :molecule_id, :name, :short_label, :sample_svg_file)
+
+        # reactions = @collection
+        #               .reactions
+        #               .select(:id, :name, :short_label)
+        reactions = @collection.reactions.includes(:reactants, :products).map do |r|
+          {
+            id: r.id,
+            name: r.name,
+            short_label: r.short_label,
+            starting_material_ids: r.starting_materials.pluck(:id),
+            reactant_ids: r.reactants.pluck(:id),
+            product_ids:  r.products.pluck(:id),
+            reaction_svg_file: r.reaction_svg_file
+          }
+        end
+
+
+        molecule_ids = samples.pluck(:molecule_id).compact.uniq
+        molecules = Molecule
+                      .where(id: molecule_ids)
+                      .select(:id, :cano_smiles, :inchikey, :iupac_name)
+
+        {
+          samples: samples.as_json,
+          reactions: reactions.as_json,
+          molecules: molecules.as_json
+        }
+      end
+    end
+  end
+end

app/javascript/src/apps/mydb/elements/details/ElementDetails.js

@@ -23,6 +23,7 @@ import CellLineDetails from 'src/apps/mydb/elements/details/cellLines/CellLineDe
 import VesselDetails from 'src/apps/mydb/elements/details/vessels/VesselDetails';
 import VesselTemplateDetails from 'src/apps/mydb/elements/details/vessels/VesselTemplateDetails';
 import VesselTemplateCreate from 'src/apps/mydb/elements/details/vessels/VesselTemplateCreate';
+import ExplorerContainer from 'src/apps/mydb/elements/details/explorer/ExplorerContainer';
 
 const tabInfoHash = {
   metadata: {
@@ -45,6 +46,16 @@ const tabInfoHash = {
       </span>
     )
   },
+  explorer: {
+    title: 'Explorer',
+    iconEl: (
+      <span>
+        <i className="fa fa-project-diagram" />
+        {/* &nbsp;&nbsp;
+        <i className="fa fa-pencil" /> */}
+      </span>
+    )
+  },
   prediction: {
     title: 'Synthesis Prediction',
     iconEl: (
@@ -153,6 +164,8 @@ export default class ElementDetails extends Component {
         return <MetadataContainer metadata={el} />;
       case 'report':
         return <ReportContainer report={el} />;
+      case 'explorer':
+        return <ExplorerContainer explorer={el} />;
       case 'prediction':
         //return <PredictionContainer prediction={el} />;
         console.warn('Attempting to show outdated PredictionContainer')