Populate blank Sample fingerprint

- Re-populate samples if no associated fingerprint
- Check sample - fingerprint association before saving
- Change fingerprint requirement to fit with spec

app/models/fingerprint.rb

@@ -27,7 +27,7 @@ class Fingerprint < ActiveRecord::Base
             presence: true,
             numericality: {
               only_integer: true,
-              greater_than: 0,
+              greater_than_or_equal_to: 0,
               less_than: 1024,
               message: "must be integer between 0 and 1024"
             }

app/models/sample.rb

@@ -110,6 +110,7 @@ class Sample < ActiveRecord::Base
   before_save :auto_set_molfile_to_molecules_molfile
   before_save :find_or_create_molecule_based_on_inchikey
   before_save :check_molfile_polymer_section
+  before_save :find_or_create_fingerprint
 
   has_ancestry
 
@@ -256,6 +257,12 @@ def find_or_create_molecule_based_on_inchikey
     end
   end
 
+  def find_or_create_fingerprint
+    if self.fingerprint_id == nil
+      self.fingerprint_id = Fingerprint.find_or_create_by_molfile(self.molfile.clone)
+    end
+  end
+
   def get_svg_path
     if self.sample_svg_file.present?
       "/images/samples/#{self.sample_svg_file}"

db/migrate/20170210102655_repopulate_fingerprint.rb

@@ -0,0 +1,12 @@
+class RepopulateFingerprint < ActiveRecord::Migration
+  def change
+    Sample.reset_column_information
+    # Extract all molecule
+    Sample.all.each do |sample|
+      next unless sample.fingerprint_id == nil
+
+      sample.fingerprint_id = Fingerprint.find_or_create_by_molfile(sample.molfile.clone)
+      sample.save!
+    end
+  end
+end

spec/models/fingerprint_spec.rb

@@ -74,8 +74,8 @@
       fingerprint.num_set_bits = -1
       expect(fingerprint.valid?).to be(false)
 
-      fingerprint.num_set_bits = 0
-      expect(fingerprint.valid?).to be(false)
+      # fingerprint.num_set_bits = 0
+      # expect(fingerprint.valid?).to be(false)
     end
 
     it 'must check if fingerprint existed' do