#5296 - Save Support for RDF Format (#5608)

* #5296 - Implemented save to rdf, fixed view only 3d mode * #5296 - reverted indigo version * #5296 - updated test snapshot
epam · Oct 2, 2024 · 6b76730 · 6b76730
1 parent 93e32ab
commit 6b76730
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Showing 13 changed files with 60 additions and 4 deletions.
diff --git a/...ts/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts b/...ts/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts
@@ -996,7 +996,7 @@ test.describe('Multi-Tailed Arrow Tool', () => {
     await selectTopPanelButton(TopPanelButton.Save, page);
     await expect(page.getByText('Save to Templates')).toBeDisabled();
     await takeEditorScreenshot(page, {
-      masks: [page.getByTestId('mol-preview-area-text')],
+      masks: [page.getByTestId('rxn-preview-area-text')],
     });
   });
 

diff --git a/...lti-Tail-ee4f5-plate---Save-to-Template-button-is-disabled-1-chromium-linux.png b/...lti-Tail-ee4f5-plate---Save-to-Template-button-is-disabled-1-chromium-linux.png
diff --git a/packages/ketcher-core/src/application/formatters/formatProperties.ts b/packages/ketcher-core/src/application/formatters/formatProperties.ts
@@ -157,6 +157,18 @@ const formatProperties: FormatPropertiesMap = {
     ['.'],
     true,
   ),
+  rdf: new SupportedFormatProperties(
+    'RDF V2000',
+    ChemicalMimeType.RDF,
+    ['.rdf'],
+    true,
+  ),
+  rdfV3000: new SupportedFormatProperties(
+    'RDF V3000',
+    ChemicalMimeType.RDF,
+    ['.rdf'],
+    true,
+  ),
 };
 
 const imgFormatProperties = {

diff --git a/packages/ketcher-core/src/application/formatters/structFormatter.types.ts b/packages/ketcher-core/src/application/formatters/structFormatter.types.ts
@@ -54,6 +54,8 @@ export enum SupportedFormat {
   idt = 'idt',
   helm = 'helm',
   unknown = 'unknown',
+  rdf = 'rdf',
+  rdfV3000 = 'rdfV3000',
 }
 
 export type FormatterFactoryOptions = Partial<

diff --git a/packages/ketcher-core/src/domain/entities/struct.ts b/packages/ketcher-core/src/domain/entities/struct.ts
@@ -114,6 +114,10 @@ export class Struct {
     return this.rxnArrows.size >= 1;
   }
 
+  hasMultitailArrow(): boolean {
+    return this.multitailArrows.size >= 1;
+  }
+
   hasRxnPluses(): boolean {
     return this.rxnPluses.size > 0;
   }

diff --git a/packages/ketcher-core/src/domain/services/struct/structService.types.ts b/packages/ketcher-core/src/domain/services/struct/structService.types.ts
@@ -36,6 +36,7 @@ export enum ChemicalMimeType {
   PEPTIDE = 'chemical/x-peptide-sequence',
   IDT = 'chemical/x-idt',
   HELM = 'chemical/x-helm',
+  RDF = 'chemical/x-rdf',
 }
 
 export interface WithStruct {

diff --git a/packages/ketcher-react/src/script/ui/action/server.js b/packages/ketcher-react/src/script/ui/action/server.js
@@ -89,6 +89,7 @@ const config = {
   },
   miew: {
     title: '3D Viewer',
+    enabledInViewOnly: true,
     action: { dialog: 'miew' },
     hidden: (options) => isHidden(options, 'miew'),
   },

diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.jsx b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.jsx
@@ -78,7 +78,8 @@ class SaveDialog extends Component {
       tabIndex: 0,
       isLoading: true,
     };
-    this.isRxn = this.props.struct.hasRxnArrow();
+    this.isRxn =
+      this.props.struct.hasRxnArrow() || this.props.struct.hasMultitailArrow();
     this.textAreaRef = createRef();
 
     const formats = !this.props.server
@@ -89,6 +90,8 @@ class SaveDialog extends Component {
           this.isRxn ? 'rxnV3000' : 'molV3000',
           'sdf',
           'sdfV3000',
+          'rdf',
+          'rdfV3000',
           'smarts',
           'smiles',
           'smilesExt',

diff --git a/...ages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.test.utils.tsx b/...ages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.test.utils.tsx
@@ -20,6 +20,7 @@ const initialState = {
   editor: {
     struct: () => ({
       hasRxnArrow: () => false,
+      hasMultitailArrow: () => false,
       isBlank: () => true,
       atoms: { size: 0 },
       bonds: { size: 0 },

diff --git a/...react/src/script/ui/views/modal/components/document/Save/__snapshots__/Save.test.tsx.snap b/...react/src/script/ui/views/modal/components/document/Save/__snapshots__/Save.test.tsx.snap
@@ -242,6 +242,26 @@ Object {
           >
             SDF V3000
           </li>
+          <li
+            aria-selected="false"
+            class="MuiButtonBase-root MuiMenuItem-root MuiMenuItem-gutters MuiMenuItem-root MuiMenuItem-gutters css-kk1bwy-MuiButtonBase-root-MuiMenuItem-root"
+            data-testid="RDF V2000-option"
+            data-value="rdf"
+            role="option"
+            tabindex="-1"
+          >
+            RDF V2000
+          </li>
+          <li
+            aria-selected="false"
+            class="MuiButtonBase-root MuiMenuItem-root MuiMenuItem-gutters MuiMenuItem-root MuiMenuItem-gutters css-kk1bwy-MuiButtonBase-root-MuiMenuItem-root"
+            data-testid="RDF V3000-option"
+            data-value="rdfV3000"
+            role="option"
+            tabindex="-1"
+          >
+            RDF V3000
+          </li>
           <li
             aria-selected="false"
             class="MuiButtonBase-root MuiMenuItem-root MuiMenuItem-gutters MuiMenuItem-root MuiMenuItem-gutters css-kk1bwy-MuiButtonBase-root-MuiMenuItem-root"

diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/process/Miew/Miew.tsx b/packages/ketcher-react/src/script/ui/views/modal/components/process/Miew/Miew.tsx
@@ -14,11 +14,12 @@
  * limitations under the License.
  ***************************************************************************/
 
-import { lazy, Suspense, useCallback, useRef, useState } from 'react';
+import { lazy, Suspense, useCallback, useMemo, useRef, useState } from 'react';
 import { Dialog, LoadingCircles } from '../../../../components';
 import {
   FormatterFactory,
   KetcherLogger,
+  ketcherProvider,
   Struct,
   StructService,
   SupportedFormat,
@@ -121,6 +122,13 @@ const MiewDialog = ({
 }: Props) => {
   const miewRef = useRef<MiewAsType>();
   const [isInitialized, setIsIsInitialized] = useState(false);
+  const ketcher = ketcherProvider.getKetcher();
+
+  const isDisabled = useMemo(() => {
+    return (
+      !isInitialized || ketcher?.editor.render.options.viewOnlyMode === true
+    );
+  }, [ketcher, isInitialized]);
 
   const onMiewInit = useCallback(
     (miew: MiewAsType) => {
@@ -163,7 +171,7 @@ const MiewDialog = ({
           key="apply"
           onClick={exportCML}
           className={classes.applyButton}
-          disabled={!isInitialized}
+          disabled={isDisabled}
           data-testid="miew-modal-button"
         >
           Apply

diff --git a/packages/ketcher-standalone/src/infrastructure/services/struct/indigoWorker.types.ts b/packages/ketcher-standalone/src/infrastructure/services/struct/indigoWorker.types.ts
@@ -68,6 +68,7 @@ export enum SupportedFormat {
   SEQUENCE = 'sequence',
   IDT = 'idt',
   HELM = 'helm',
+  RDF = 'rdf',
 }
 
 export interface WithStruct {

diff --git a/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts b/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts
@@ -150,6 +150,9 @@ function convertMimeTypeToOutputFormat(
       format = SupportedFormat.HELM;
       break;
     }
+    case ChemicalMimeType.RDF:
+      format = SupportedFormat.RDF;
+      break;
     case ChemicalMimeType.UNKNOWN:
     default: {
       throw new Error('Unsupported chemical mime type');