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#6055 – Allow multiple library updates and updating in micro-mode #6058

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#6055 – Allow multiple library updates and updating in micro-mode #6058

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2 changes: 1 addition & 1 deletion README.md
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Original file line number Diff line number Diff line change
Expand Up @@ -124,7 +124,7 @@ Parameters:
* `backgroundColor` – image background color
* `bondThickness` – thickness of bonds in output structure

`updateMonomersLibrary(monomersData: string | JSON): void` – given the monomers data, perform upsert operation for the built-in monomers library in the macromolecules editor. Might be invoked only when macromolecules editor is turned on. Update (replace) operation is performed for the particular monomer if its alias and class are matching with the existing one. Otherwise, insert operation is performed.
`updateMonomersLibrary(monomersData: string | JSON): void` – given the monomers data, perform upsert operation for the built-in monomers library in the macromolecules editor. Update (replace) operation is performed for the particular monomer if its alias and class are matching with the existing one. Otherwise, insert operation is performed.
Parameters: `monomersData: string | JSON` – monomers description in KET format being formatted as either JSON notation or this JSON being stringified to be more concise.

## Settings
Expand Down
56 changes: 33 additions & 23 deletions packages/ketcher-core/src/application/editor/Editor.ts
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Expand Up @@ -61,6 +61,7 @@ interface ICoreEditorConstructorParams {
theme;
canvas: SVGSVGElement;
mode?: BaseMode;
// Raw monomers data in KET format that has to be applied as library update ahead of time on Ketcher initialization – check `updateMonomersLibrary` method of Ketcher API
monomersLibraryUpdate?: string | JSON;
}

Expand All @@ -71,6 +72,7 @@ function isMouseMainButtonPressed(event: MouseEvent) {
let persistentMonomersLibrary: MonomerItemType[] = [];
let persistentMonomersLibraryParsedJson: IKetMacromoleculesContent | null =
null;
let storedMonomersLibraryUpdates: Array<string | JSON> = [];

let editor;
export class CoreEditor {
Expand Down Expand Up @@ -118,11 +120,7 @@ export class CoreEditor {
this.mode = mode ?? new SequenceMode();
resetEditorEvents();
this.events = editorEvents;
this.setMonomersLibrary(monomersDataRaw);
this._monomersLibraryParsedJson = JSON.parse(monomersDataRaw);
if (monomersLibraryUpdate) {
this.updateMonomersLibrary(monomersLibraryUpdate);
}
this.setMonomersLibrary(monomersDataRaw, monomersLibraryUpdate);
this.subscribeEvents();
this.renderersContainer = new RenderersManager({ theme });
this.drawingEntitiesManager = new DrawingEntitiesManager();
Expand Down Expand Up @@ -158,7 +156,10 @@ export class CoreEditor {
return { monomersLibraryParsedJson, monomersLibrary };
}

private setMonomersLibrary(monomersDataRaw: string) {
private setMonomersLibrary(
monomersDataRaw: string,
initialMonomersLibraryUpdate?: string | JSON,
) {
if (
persistentMonomersLibrary.length !== 0 &&
persistentMonomersLibraryParsedJson !== undefined
Expand All @@ -172,8 +173,21 @@ export class CoreEditor {
this.parseMonomersLibrary(monomersDataRaw);
this._monomersLibrary = monomersLibrary;
this._monomersLibraryParsedJson = monomersLibraryParsedJson;
persistentMonomersLibrary = monomersLibrary;
persistentMonomersLibraryParsedJson = monomersLibraryParsedJson;

if (initialMonomersLibraryUpdate) {
this.updateMonomersLibrary(initialMonomersLibraryUpdate);
}
storedMonomersLibraryUpdates.forEach((storedMonomersLibraryUpdate) => {
this.updateMonomersLibrary(storedMonomersLibraryUpdate);
});
storedMonomersLibraryUpdates = [];

persistentMonomersLibrary = this._monomersLibrary;
persistentMonomersLibraryParsedJson = this._monomersLibraryParsedJson;
}

static storeMonomersLibraryUpdate(monomersDataRaw: string | JSON) {
storedMonomersLibraryUpdates.push(monomersDataRaw);
}

public updateMonomersLibrary(monomersDataRaw: string | JSON) {
Expand All @@ -183,6 +197,10 @@ export class CoreEditor {
} = this.parseMonomersLibrary(monomersDataRaw);

newMonomersLibraryChunk.forEach((newMonomer) => {
if (!this._monomersLibraryParsedJson) {
return;
}

const existingMonomerIndex = this._monomersLibrary.findIndex(
(monomer) => {
return (
Expand All @@ -202,35 +220,27 @@ export class CoreEditor {
this._monomersLibrary[existingMonomerIndex].props;
const existingMonomerIdToUse =
existingMonomerProps.id || existingMonomerProps.MonomerName;
// It's safe to use non-null assertion here and below because we already specified monomers library and parsed JSON before
const existingMonomerRefIndex =
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
this._monomersLibraryParsedJson!.root.templates.findIndex(
this._monomersLibraryParsedJson.root.templates.findIndex(
(template) => template.$ref === existingMonomerIdToUse,
);
if (existingMonomerRefIndex && existingMonomerRefIndex !== -1) {
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
delete this._monomersLibraryParsedJson!.root.templates[
delete this._monomersLibraryParsedJson.root.templates[
existingMonomerRefIndex
];
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
delete this._monomersLibraryParsedJson![existingMonomerIdToUse];
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
this._monomersLibraryParsedJson!.root.templates.push({
delete this._monomersLibraryParsedJson[existingMonomerIdToUse];
this._monomersLibraryParsedJson.root.templates.push({
$ref: monomerIdToUse,
});
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
this._monomersLibraryParsedJson![monomerIdToUse] =
this._monomersLibraryParsedJson[monomerIdToUse] =
newMonomersLibraryChunkParsedJson[monomerIdToUse];
}
} else {
this._monomersLibrary.push(newMonomer);
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
this._monomersLibraryParsedJson!.root.templates.push({
this._monomersLibraryParsedJson.root.templates.push({
$ref: monomerIdToUse,
});
// eslint-disable-next-line @typescript-eslint/no-non-null-assertion
this._monomersLibraryParsedJson![monomerIdToUse] =
this._monomersLibraryParsedJson[monomerIdToUse] =
newMonomersLibraryChunkParsedJson[monomerIdToUse];
}
});
Expand Down
11 changes: 3 additions & 8 deletions packages/ketcher-core/src/application/ketcher.ts
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Expand Up @@ -40,7 +40,6 @@ import {
import {
deleteAllEntitiesOnCanvas,
getStructure,
ketcherProvider,
parseAndAddMacromoleculesOnCanvas,
prepareStructToRender,
} from './utils';
Expand Down Expand Up @@ -542,14 +541,10 @@ export class Ketcher {
public updateMonomersLibrary(rawMonomersData: string | JSON) {
const editor = CoreEditor.provideEditorInstance();

ketcherProvider.getKetcher();

if (!editor) {
throw new Error(
'Updating monomer library in small molecules mode is not allowed, please switch to macromolecules mode',
);
CoreEditor.storeMonomersLibraryUpdate(rawMonomersData);
} else {
editor.updateMonomersLibrary(rawMonomersData);
}

editor.updateMonomersLibrary(rawMonomersData);
}
}
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