#5634 - ketcher.getMolfile() stopped working for macro canvas with pe…

…ptides
epam · Oct 13, 2024 · 1c4bd6c · 1c4bd6c
1 parent b327c22
commit 1c4bd6c
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Showing 7 changed files with 49 additions and 23 deletions.
diff --git a/packages/ketcher-core/src/application/editor/editor.types.ts b/packages/ketcher-core/src/application/editor/editor.types.ts
@@ -82,4 +82,5 @@ export interface Editor {
   macromoleculeConvertionError: string | null | undefined;
   setMacromoleculeConvertionError: (errorMessage: string) => void;
   clearMacromoleculeConvertionError: () => void;
+  serverSettings: object;
 }
diff --git a/packages/ketcher-core/src/application/indigo.ts b/packages/ketcher-core/src/application/indigo.ts
@@ -113,12 +113,15 @@ export class Indigo {
     });
   }
 
-  layout(struct: StructOrString): Promise<Struct> {
+  layout(struct: StructOrString, options): Promise<Struct> {
     return this.#structService
-      .layout({
-        struct: convertStructToString(struct, this.#ketSerializer),
-        output_format: ChemicalMimeType.KET,
-      })
+      .layout(
+        {
+          struct: convertStructToString(struct, this.#ketSerializer),
+          output_format: ChemicalMimeType.KET,
+        },
+        options,
+      )
       .then((data) => this.#ketSerializer.deserialize(data.struct));
   }
 

diff --git a/packages/ketcher-core/src/application/ketcher.ts b/packages/ketcher-core/src/application/ketcher.ts
@@ -18,7 +18,7 @@ import { saveAs } from 'file-saver';
 import { FormatterFactory, SupportedFormat } from './formatters';
 import { GenerateImageOptions, StructService } from 'domain/services';
 
-import { CoreEditor, Editor, defaultBondThickness } from './editor';
+import { CoreEditor, Editor } from './editor';
 import { Indigo } from 'application/indigo';
 import { KetSerializer, MolfileFormat } from 'domain/serializers';
 import { SGroup, Struct } from 'domain/entities';
@@ -413,7 +413,10 @@ export class Ketcher {
     }
 
     runAsyncAction<void>(async () => {
-      const struct = await this._indigo.layout(this.#editor.struct());
+      const struct = await this._indigo.layout(
+        this.#editor.struct(),
+        this.editor.serverSettings,
+      );
       const ketSerializer = new KetSerializer();
       this.setMolecule(ketSerializer.serialize(struct));
     }, this.eventBus);
@@ -465,7 +468,6 @@ export class Ketcher {
     data: string,
     options: GenerateImageOptions = {
       outputFormat: 'png',
-      bondThickness: defaultBondThickness,
     },
   ): Promise<Blob> {
     let meta = '';
@@ -480,11 +482,12 @@ export class Ketcher {
         meta = 'image/png';
         options.outputFormat = 'png';
     }
+    const serverSettings = this.editor.serverSettings;
 
-    const base64 = await this.structService.generateImageAsBase64(
-      data,
-      options,
-    );
+    const base64 = await this.structService.generateImageAsBase64(data, {
+      ...serverSettings,
+      ...options,
+    });
     const byteCharacters = atob(base64);
     const byteNumbers = new Array(byteCharacters.length);
     for (let i = 0; i < byteCharacters.length; i++) {

diff --git a/packages/ketcher-core/src/application/utils.ts b/packages/ketcher-core/src/application/utils.ts
@@ -36,7 +36,9 @@ export function getStructure(
   drawingEntitiesManager?: DrawingEntitiesManager,
   selection?: EditorSelection,
 ): Promise<string> {
-  const formatter = formatterFactory.create(structureFormat);
+  const serverSettings = ketcherProvider.getKetcher().editor.serverSettings;
+  const formatter = formatterFactory.create(structureFormat, serverSettings);
+
   return formatter.getStructureFromStructAsync(
     struct,
     drawingEntitiesManager,

diff --git a/packages/ketcher-react/src/script/editor/Editor.ts b/packages/ketcher-react/src/script/editor/Editor.ts
@@ -162,10 +162,12 @@ class Editor implements KetcherEditor {
     updateFloatingTools: Subscription<FloatingToolsParams>;
   };
 
+  public serverSettings = {};
+
   lastEvent: any;
   macromoleculeConvertionError: string | null | undefined;
 
-  constructor(clientArea, options) {
+  constructor(clientArea, options, serverSettings) {
     this.render = new Render(
       clientArea,
       Object.assign(
@@ -186,6 +188,7 @@ class Editor implements KetcherEditor {
     this.renderAndRecoordinateStruct =
       this.renderAndRecoordinateStruct.bind(this);
     this.setOptions = this.setOptions.bind(this);
+    this.setServerSettings(serverSettings);
 
     this.lastCursorPosition = {
       x: 0,
@@ -339,6 +342,10 @@ class Editor implements KetcherEditor {
     return this.render.options;
   }
 
+  public setServerSettings(serverSettings) {
+    this.serverSettings = serverSettings;
+  }
+
   private updateToolAfterOptionsChange(wasViewOnlyEnabled: boolean) {
     const isViewOnlyEnabled = this.render.options.viewOnlyMode;
     if (

diff --git a/packages/ketcher-react/src/script/ui/views/Editor.jsx b/packages/ketcher-react/src/script/ui/views/Editor.jsx
@@ -35,12 +35,14 @@ const mapDispatchToProps = (dispatch) => {
   };
 };
 
-const Editor = connect(
-  (state) => ({
+const Editor = connect((state) => {
+  const serverSettings = state.options.getServerSettings();
+
+  return {
     options: state.options.settings,
+    serverSettings,
     indigoVerification: state.requestsStatuses.indigoVerification,
-  }),
-  mapDispatchToProps,
-)(StructEditor);
+  };
+}, mapDispatchToProps)(StructEditor);
 
 export default Editor;
diff --git a/packages/ketcher-react/src/script/ui/views/components/StructEditor/StructEditor.jsx b/packages/ketcher-react/src/script/ui/views/components/StructEditor/StructEditor.jsx
@@ -41,7 +41,10 @@ function setupEditor(editor, props, oldProps = {}) {
     }
   }
 
-  if (oldProps.options && options !== oldProps.options) editor.options(options);
+  if (oldProps.options && options !== oldProps.options) {
+    editor.options(options);
+    editor.setServerSettings(props.serverSettings);
+  }
 
   Object.keys(editor.event).forEach((name) => {
     const eventName = `on${upperFirst(name)}`;
@@ -147,9 +150,13 @@ class StructEditor extends Component {
   }
 
   componentDidMount() {
-    this.editor = new Editor(this.editorRef.current, {
-      ...this.props.options,
-    });
+    this.editor = new Editor(
+      this.editorRef.current,
+      {
+        ...this.props.options,
+      },
+      { ...this.props.serverSettings },
+    );
     const ketcher = ketcherProvider.getKetcher();
     if (ketcher?.editor.macromoleculeConvertionError) {
       this.props.onShowMacromoleculesErrorMessage(
@@ -287,6 +294,7 @@ class StructEditor extends Component {
       showAttachmentPoints = true,
       onUpdateFloatingTools,
       onShowMacromoleculesErrorMessage,
+      serverSettings,
       /* eslint-enable @typescript-eslint/no-unused-vars */
       ...props
     } = this.props;