Execute LCSS job when have new molecule (#770)

* Execute LCSS job when have new molecule

* Execute LCSS job when have new molecule

create a job to get single lcss data

refactor to use active record callback

Co-authored-by: Danny Truong <[email protected]>

.gitignore

@@ -177,3 +177,4 @@ vendor/cache/*
 .devcontainer
 .docker-sync/
 
+public/sprite.png

app/jobs/pubchem_single_lcss_job.rb

@@ -0,0 +1,11 @@
+# frozen_string_literal: true
+
+# Job to update molecule info for molecules with no LCSS
+# associated LCSS (molecule tag) is updated if cid found in PC db
+class PubchemSingleLcssJob < ApplicationJob
+  queue_as :single_pubchem_lcss
+
+  def perform(molecule)
+    molecule.pubchem_lcss
+  end
+end

app/models/molecule.rb

@@ -48,6 +48,7 @@ class Molecule < ApplicationRecord
 
   before_save :sanitize_molfile
   after_create :create_molecule_names
+  after_create :get_lcss
   skip_callback :save, before: :sanitize_molfile, if: :skip_sanitize_molfile
 
   validates_uniqueness_of :inchikey, scope: :is_partial
@@ -94,6 +95,7 @@ def self.find_or_create_by_molfile(molfile, **babel_info)
       molecule.molfile = is_partial && partial_molfile || molfile
       molecule.assign_molecule_data(babel_info, pubchem_info)
     end
+
     molecule.ob_log = babel_info[:ob_log]
     molecule
   end
@@ -224,6 +226,16 @@ def create_molecule_names
     molecule_names.create(name: sum_formular, description: 'sum_formular')
   end
 
+  def get_lcss
+    delayed_jobs = Delayed::Job.where(queue: 'single_pubchem_lcss')
+    if delayed_jobs.empty?
+      PubchemSingleLcssJob.perform_later self
+    else
+      last_job = delayed_jobs.last
+      PubchemSingleLcssJob.set(run_at: last_job.created_at + 1.seconds).perform_later self
+    end
+  end
+
   def create_molecule_name_by_user(new_name, user_id)
     return unless unique_molecule_name(new_name)
     molecule_names