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4,290 changes: 2,093 additions & 2,197 deletions package-lock.json

Large diffs are not rendered by default.

52 changes: 26 additions & 26 deletions package.json
Original file line number Diff line number Diff line change
Expand Up @@ -13,19 +13,19 @@
"node": "24.4.0"
},
"dependencies": {
"@blueprintjs/core": "^6.2.1",
"@blueprintjs/icons": "^6.1.0",
"@blueprintjs/select": "^6.0.3",
"@blueprintjs/core": "^6.7.0",
"@blueprintjs/icons": "^6.5.1",
"@blueprintjs/select": "^6.0.14",
"@emotion/styled": "^11.14.1",
"@vitejs/plugin-react": "^5.0.2",
"@zakodium/nmrium-core": "^0.1.7",
"@zakodium/nmrium-core-plugins": "^0.1.10",
"@vitejs/plugin-react": "^5.1.2",
"@zakodium/nmrium-core": "^0.6.1",
"@zakodium/nmrium-core-plugins": "^0.6.32",
"fifo-logger": "^2.0.1",
"filelist-utils": "^1.11.3",
"nmr-processing": "^19.1.0",
"nmrium": "^1.3.0",
"openchemlib": "^9.7.0",
"react-science": "^19.1.0"
"nmr-processing": "^22.3.0",
"nmrium": "^1.11.0",
"openchemlib": "^9.19.0",
"react-science": "^19.5.0"
},
"scripts": {
"start": "vite --host localhost --port 3000 --open",
Expand All @@ -43,28 +43,28 @@
"test-e2e-server": "serve -l tcp://localhost:3000 dist"
},
"devDependencies": {
"@babel/plugin-transform-modules-commonjs": "^7.27.1",
"@babel/preset-react": "^7.27.1",
"@babel/preset-typescript": "^7.27.1",
"@playwright/test": "^1.55.0",
"@babel/plugin-transform-modules-commonjs": "^7.28.6",
"@babel/preset-react": "^7.28.5",
"@babel/preset-typescript": "^7.28.5",
"@playwright/test": "^1.58.0",
"@simbathesailor/use-what-changed": "^2.0.0",
"@types/jest": "^30.0.0",
"@types/node": "^24.3.0",
"@types/node": "^25.1.0",
"@types/react": "^18.3.3",
"@types/react-dom": "^18.3.0",
"@types/react-router-dom": "^5.3.3",
"cross-env": "^10.0.0",
"eslint": "^9.34.0",
"eslint-config-cheminfo-react": "^17.0.1",
"eslint-config-cheminfo-typescript": "^19.0.0",
"jest": "^30.1.3",
"prettier": "3.6.2",
"cross-env": "^10.1.0",
"eslint": "^9.39.2",
"eslint-config-cheminfo-react": "^19.1.0",
"eslint-config-cheminfo-typescript": "^21.1.0",
"jest": "^30.2.0",
"prettier": "3.8.1",
"react": "^18.3.1",
"react-dom": "^18.3.1",
"react-router-dom": "^7.8.2",
"serve": "^14.2.4",
"typescript": "^5.9.2",
"vite": "^7.1.4",
"vite-plugin-pwa": "^1.0.3"
"react-router-dom": "^7.13.0",
"serve": "^14.2.5",
"typescript": "^5.9.3",
"vite": "^7.3.1",
"vite-plugin-pwa": "^1.2.0"
}
}
5 changes: 5 additions & 0 deletions playwright.config.ts
Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,10 @@ const viewportOverride: ViewportSize = {
const config: PlaywrightTestConfig = {
testDir: 'test-e2e',
retries: 1,
timeout: 60_000,
expect: {
timeout: 30_000,
},
use: {
headless: true,
ignoreHTTPSErrors: true,
Expand All @@ -21,6 +25,7 @@ const config: PlaywrightTestConfig = {
strictSelectors: true,
},
},

webServer: {
command: 'npm run test-e2e-server',
port: 3000,
Expand Down
29 changes: 10 additions & 19 deletions src/NMRiumWrapper.tsx
Original file line number Diff line number Diff line change
@@ -1,10 +1,12 @@
import type { NMRiumChangeCb, NMRiumData, NMRiumRefAPI } from 'nmrium';
import type { NmriumData } from '@zakodium/nmrium-core';
import type { NMRiumChangeCb, NMRiumRefAPI } from 'nmrium';
import { NMRium } from 'nmrium';
import type { CSSProperties } from 'react';
import { useCallback, useEffect, useRef, useState } from 'react';
import { useCallback, useEffect, useRef } from 'react';
import { RootLayout } from 'react-science/ui';

import events from './events/event.js';
import type { NMRiumData } from './hooks/useLoadSpectra.js';
import { useLoadSpectra } from './hooks/useLoadSpectra.js';
import { usePreferences } from './hooks/usePreferences.js';
import { useWhiteList } from './hooks/useWhiteList.js';
Expand Down Expand Up @@ -37,8 +39,6 @@ const styles: Record<'container' | 'loadingContainer', CSSProperties> = {
export default function NMRiumWrapper() {
const { allowedOrigins, isFetchAllowedOriginsPending } = useWhiteList();
const nmriumRef = useRef<NMRiumRefAPI>(null);
const [data, setDate] = useState<NMRiumData>();

const { workspace, preferences, defaultEmptyMessage, customWorkspaces } =
usePreferences();
const dataChangeHandler = useCallback<NMRiumChangeCb>((state, source) => {
Expand All @@ -48,13 +48,7 @@ export default function NMRiumWrapper() {
});
}, []);

const { load: loadSpectra, isLoading, data: loadedData } = useLoadSpectra();

useEffect(() => {
if (!isLoading) {
setDate(loadedData as unknown as NMRiumData);
}
}, [isLoading, loadedData]);
const { load: loadSpectra, data, setData } = useLoadSpectra();

useEffect(() => {
const clearActionListener = events.on(
Expand Down Expand Up @@ -85,15 +79,15 @@ export default function NMRiumWrapper() {
(loadData) => {
switch (loadData.type) {
case 'nmrium':
setDate(loadData.data);
setData(loadData.data as unknown as NMRiumData);
break;
case 'file': {
const { data: files, activeTab } = loadData;
const { data: files, activeTab = '' } = loadData;
loadSpectra({ files, activeTab });
break;
}
case 'url': {
const { data: urls, activeTab } = loadData;
const { data: urls, activeTab = '' } = loadData;
loadSpectra({ urls, activeTab });
break;
}
Expand All @@ -112,7 +106,6 @@ export default function NMRiumWrapper() {
clearActionListener();
};
});

return (
<RootLayout style={styles.container}>
{isFetchAllowedOriginsPending && (
Expand All @@ -122,19 +115,17 @@ export default function NMRiumWrapper() {
)}
<NMRium
ref={nmriumRef}
data={data}
data={data as unknown as NmriumData}
onChange={dataChangeHandler}
preferences={preferences}
workspace={workspace}
emptyText={defaultEmptyMessage}
onError={(error) => {
events.trigger('error', error);
events.trigger('error', error as Error);
}}
customWorkspaces={customWorkspaces}
/>
<AboutUsModal />
</RootLayout>
);
}

export { type NMRiumData } from 'nmrium';
3 changes: 2 additions & 1 deletion src/allowed-origins.json
Original file line number Diff line number Diff line change
Expand Up @@ -41,5 +41,6 @@
"https://test1.eln.chemotion.scc.kit.edu",
"https://test.chemdev.scc.kit.edu",
"http://5.10.12.108",
"http://chemotioneln.chemie.uni-kl.de:4000"
"http://chemotioneln.chemie.uni-kl.de:4000",
"https://eln.crc1333.de/"
]
1 change: 1 addition & 0 deletions src/demo/NMRiumWrapperDemo.tsx
Original file line number Diff line number Diff line change
Expand Up @@ -51,6 +51,7 @@ export default function NMRiumWrapperDemo() {
// 'https://cloud.uni-jena.de/s/jsMed9fmqWZzo6r/download/53.zip',
],
type: 'url',
activeTab: '13C',
});
}}
>
Expand Down
45 changes: 24 additions & 21 deletions src/hooks/useLoadSpectra.ts
Original file line number Diff line number Diff line change
@@ -1,12 +1,9 @@
import type {
NmriumState,
ParsingOptions,
ViewState,
} from '@zakodium/nmrium-core';
import type { ParsingOptions, ViewState } from '@zakodium/nmrium-core';
import { CURRENT_EXPORT_VERSION } from '@zakodium/nmrium-core';
import init from '@zakodium/nmrium-core-plugins';
import { FifoLogger } from 'fifo-logger';
import { FileCollection } from 'file-collection';
import type { NMRiumState } from 'nmrium';
import { useCallback, useMemo, useState } from 'react';

import events from '../events/event.js';
Expand Down Expand Up @@ -36,16 +33,16 @@ logger.addEventListener('change', handleLogger);
const PARSING_OPTIONS: Partial<ParsingOptions> = {
onLoadProcessing: { autoProcessing: true },
experimentalFeatures: true,
sourceSelector: { general: { dataSelection: 'preferFT' } },
selector: { general: { dataSelection: 'preferFT' } },
logger,
};

async function loadSpectraFromFiles(files: File[]) {
const fileCollection = await new FileCollection().appendFileList(files);
const {
nmriumState: { data },
nmriumState: { data, version },
} = await core.read(fileCollection, PARSING_OPTIONS);
return data;
return { data, version } as NMRiumData;
}

async function loadSpectraFromURLs(urls: string[]) {
Expand All @@ -60,24 +57,31 @@ async function loadSpectraFromURLs(urls: string[]) {
return { relativePath: path, baseURL: refURL.origin };
}, []);

const { data } = await core.readFromWebSource({ entries }, PARSING_OPTIONS);
return data;
const [{ data, version }] = await core.readFromWebSource(
{ entries },
PARSING_OPTIONS,
);
return { data, version } as NMRiumData;
}

type NMRiumData = NmriumState['data'];

type LoadOptions =
| { urls: string[]; activeTab?: string }
| { files: File[]; activeTab?: string };

export type NMRiumData = Pick<NMRiumState, 'data' | 'version'>;

interface UseLoadSpectraResult {
data: { version: number; data: NMRiumData };
data: NMRiumData;
load: (options: LoadOptions) => void;
setData: (data: NMRiumData) => void;
isLoading: boolean;
}

export function useLoadSpectra(): UseLoadSpectraResult {
const [data, setData] = useState<NMRiumData>({ spectra: [], molecules: [] });
const [data, setData] = useState<NMRiumData>({
data: { spectra: [], molecules: [] },
version: CURRENT_EXPORT_VERSION,
});
const [activeTab, setActiveTab] = useState<string>();
const [isLoading, setLoading] = useState<boolean>(false);

Expand All @@ -87,14 +91,14 @@ export function useLoadSpectra(): UseLoadSpectraResult {
if ('urls' in options) {
if (isArrayOfString(options.urls)) {
const result = await loadSpectraFromURLs(options.urls);
setData(result as NMRiumData);
setData(result);
setActiveTab(options?.activeTab);
} else {
throw new Error('The input must be a valid urls array of string[]');
}
} else if ('files' in options) {
const result = await loadSpectraFromFiles(options.files);
setData(result as NMRiumData);
setData(result);
setActiveTab(options?.activeTab);
}
} catch (error: unknown) {
Expand All @@ -109,14 +113,13 @@ export function useLoadSpectra(): UseLoadSpectraResult {

return useMemo(() => {
let view: DeepPartial<ViewState> = {};
if (activeTab) {
view = { spectra: { activeTab } };
}

view = { spectra: { activeTab } };
const { version, ...other } = data;
return {
data: { version: CURRENT_EXPORT_VERSION, data, view },
data: { version: version ?? CURRENT_EXPORT_VERSION, ...other, view },
load,
isLoading,
setData,
};
}, [activeTab, data, isLoading, load]);
}
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