fixed double name column sorted

cleaned column list
fix reverted sorting
fix sorting when selection type not sample
added molecule_name field
clean attribute selection
closes #255

app/api/chemotion/report_api.rb

@@ -13,15 +13,15 @@ module Chemotion
 
       def excluded_field
         %w(
-          id molecule_id created_by deleted_at
-          user_id fingerprint_id sample_svg_file xref
+          id molecule_id created_by deleted_at identifier molecule_name_id
+          user_id fingerprint_id sample_svg_file xref impurities ancestry
         )
       end
 
       def included_field
         %w(
-          molecule.cano_smiles molecule.sum_formular
-          molecule.inchistring molecule.molecular_weight
+          molecule.cano_smiles molecule.sum_formular molecule_name
+          molecule.inchistring molecule.molecular_weight molecule.inchikey
         )
       end
 
@@ -31,11 +31,11 @@ module Chemotion
         elements = "#{type}s".to_sym
         if checkedAll
           Collection.find(currentCollection)
-                    .send(elements).where.not(id: uncheckedIds)
+                    .send(elements).where.not(id: uncheckedIds).order(updated_at: :desc)
         else
           Collection.find(currentCollection)
                     .send(elements).where(id: checkedIds)
-                    .order("position(samples.id::text in '#{checkedIds}')")
+                    .order("position(#{type}s.id::text in '#{checkedIds}')")
         end
       end
 
@@ -69,7 +69,7 @@ module Chemotion
         requires :uncheckedIds, type: Array
         requires :checkedAll, type: Boolean
         requires :currentCollection, type: Integer
-        requires :removedColumns, type: Array
+        requires :removedColumns, type: Array[String]
         requires :exportType, type: Integer
       end
       post :export_samples_from_selections do
@@ -101,7 +101,7 @@ module Chemotion
           type, checkedAll, checkedIds, uncheckedIds, currentCollection
         )
         samples = if type == 'sample'
-                    elements.includes(:molecule)
+                    elements.includes([:molecule,:molecule_name])
                   elsif type == 'reaction'
                     elements.map { |r|
                       r.starting_materials + r.reactants + r.products

app/assets/javascripts/components/contextActions/ModalExport.js

@@ -14,28 +14,30 @@ export default class ModalExport extends React.Component {
       columns: [
         {value: "Image", text: "image", checked: true},
         {value: "name", text: "name", checked: true},
-        {value: "description", text: "description", checked: true},
+        {value: "molecule_name", text: "molecule name", checked: true},
         {value: "cano_smiles", text: "canonical smiles", checked: true},
+        {value: "inchistring", text: "InChIstring", checked: true},
+        {value: "inchikey", text: "InChIkey", checked: true},
         {value: "sum_formular", text: "sum formula", checked: true},
-        {value: "inchistring", text: "inchistring", checked: true},
+        {value: "external_label", text: "external label", checked: false},
+        {value: "short_label", text: "short label", checked: false},
+        {value: "description", text: "description", checked: true},
+        {value: "real_amount_value,real_amount_unit", text: "real amount", checked: false},
         {value: "target_amount_value, target_amount_unit", text: "target amount", checked: false},
-        {value: "created_at", text: "created at", checked: false},
-        {value: "updated_at", text: "updated at", checked: false},
+        {value: "molarity_value, molarity_unit", text: "molarity", checked: false},
+        {value: "density", text: "density", checked: false},
         {value: "molfile", text: "molfile", checked: false},
         {value: "purity", text: "purity", checked: false},
         {value: "solvent", text: "solvent", checked: false},
-        {value: "molarity_value, molarity_unit", text: "molarity", checked: false},
         {value: "location", text: "location", checked: false},
         {value: "is_top_secret", text: "is top secret?", checked: false},
-        {value: "ancestry", text: "ancestry", checked: false},
-        {value: "external_label", text: "external label", checked: false},
-        {value: "short_label", text: "short label", checked: false},
-        {value: "real_amount_value,real_amount_unit", text: "real amount", checked: false},
+        // {value: "ancestry", text: "ancestry", checked: false},
         {value: "imported_readout", text: "imported readout", checked: false},
-        {value: "identifier", text: "identifier", checked: false},
-        {value: "density", text: "density", checked: false},
+        // {value: "identifier", text: "identifier", checked: false},
         {value: "melting_point", text: "melting point", checked: false},
         {value: "boiling_point", text: "boiling point", checked: false},
+        {value: "created_at", text: "created at", checked: false},
+        {value: "updated_at", text: "updated at", checked: false},
         {value: "molecular_weight", text: "molecular weight", checked: false},
       ],
       checkedAllColumns: true,
@@ -94,7 +96,7 @@ export default class ModalExport extends React.Component {
 
   removedColumns() {
     const { columns } = this.state;
-    return this.chainedItems(columns);
+    return this.chainedItems(columns).join().split(/\s*,\s*/);
   }
 
   chainedItems(items) {

lib/reporter/excel_export.rb

@@ -12,11 +12,11 @@ class Reporter::ExcelExport
 
   def generate_file(default_excluded_field, default_included_field, removed_field = [])
     return -1 if @@sample_list.empty? || @@sample_list.first == nil
-
+    header = process_header(default_excluded_field, default_included_field, removed_field)
+    return -1 if header.empty?
     p = Axlsx::Package.new
     p.workbook.styles.fonts.first.name = 'Calibri'
     p.workbook.add_worksheet(:name => "ChemOffice") do |sheet|
-      header = process_header(default_excluded_field, default_included_field, removed_field)
       sheet.add_row(fix_typo(header)) # Add header
 
       width = 0
@@ -70,6 +70,8 @@ class Reporter::ExcelExport
       if is_molecule_attribute(key)
         asso = sample.send("molecule")
         data = asso.attributes[key]
+      elsif key == 'molecule_name' && (nid = sample.molecule_name_id)
+        data = MoleculeName.find_by(id: nid)&.attributes['name']
       else
         data = sample.attributes[key]
       end
@@ -78,7 +80,7 @@ class Reporter::ExcelExport
   end
 
   def is_molecule_attribute(key)
-    ["cano_smiles", "sum_formular", "inchistring",
+    ["cano_smiles", "sum_formular", "inchistring", 'inchikey',
       "molecular_weight"].index(key)
   end
 

lib/reporter/sdf_export.rb

@@ -26,7 +26,12 @@ class Reporter::SdfExport
       sample_mdf = sample.molfile.split(/#|END/).first + "END\n"
 
       (default_included_field - removed_field).each do |field|
-        value = sample.molecule.send(field).to_s || ""
+        if field == 'molecule_name' && (nid = sample.molecule_name_id)
+          value = sample.molecule_name.attributes['name']
+        else
+          value = sample.molecule.send(field).to_s || ""
+        end
+
         next if value.empty?
 
         value = validate_value(value)