From 8ebae0a7770befd9313abac833b17c33cdff8c60 Mon Sep 17 00:00:00 2001 From: Sagar Date: Mon, 10 Feb 2025 17:34:15 +0100 Subject: [PATCH 01/28] chore: artifact version upgraded from 3 to 4 --- .github/workflows/e2e.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/e2e.yml b/.github/workflows/e2e.yml index 6596a96..c9b2932 100644 --- a/.github/workflows/e2e.yml +++ b/.github/workflows/e2e.yml @@ -26,7 +26,7 @@ jobs: continue-on-error: ${{ matrix.project == 'webkit' }} - name: Upload test results if: always() - uses: actions/upload-artifact@v3 + uses: actions/upload-artifact@v4 with: name: test-results-${{ matrix.project }} path: test-results From 86d3f5254a97135387bd66e899f2ee7fd67696b6 Mon Sep 17 00:00:00 2001 From: Sagar Date: Mon, 10 Feb 2025 17:51:17 +0100 Subject: [PATCH 02/28] chore: upgraded checkout and setup node actions --- .github/workflows/e2e.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/e2e.yml b/.github/workflows/e2e.yml index c9b2932..aba5156 100644 --- a/.github/workflows/e2e.yml +++ b/.github/workflows/e2e.yml @@ -11,8 +11,8 @@ jobs: project: [chromium, firefox, webkit] fail-fast: false steps: - - uses: actions/checkout@v3 - - uses: actions/setup-node@v3 + - uses: actions/checkout@v4 + - uses: actions/setup-node@v4 with: node-version: 18.x - name: Install dependencies From bd24044c41bc65a0d3dd73dbf36b4df51b449b30 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 19 Sep 2025 13:07:50 +0200 Subject: [PATCH 03/28] chore: update dependencies --- package-lock.json | 715 +++++++++++++++++++++++---------------------- package.json | 22 +- yarn.lock | 716 ++++++++++++++++++++++------------------------ 3 files changed, 715 insertions(+), 738 deletions(-) diff --git a/package-lock.json b/package-lock.json index ce2fa3a..bca664d 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,18 +9,18 @@ "version": "1.0.0", "license": "MIT", "dependencies": { - "@blueprintjs/core": "^6.2.1", + "@blueprintjs/core": "^6.3.1", "@blueprintjs/icons": "^6.1.0", - "@blueprintjs/select": "^6.0.3", + "@blueprintjs/select": "^6.0.5", "@emotion/styled": "^11.14.1", - "@vitejs/plugin-react": "^5.0.2", + "@vitejs/plugin-react": "^5.0.3", "@zakodium/nmrium-core": "^0.1.7", "@zakodium/nmrium-core-plugins": "^0.1.10", "fifo-logger": "^2.0.1", "filelist-utils": "^1.11.3", "nmr-processing": "^19.1.0", "nmrium": "^1.3.0", - 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version "7.1.4" - resolved "https://registry.npmjs.org/vite/-/vite-7.1.4.tgz" - integrity sha512-X5QFK4SGynAeeIt+A7ZWnApdUyHYm+pzv/8/A57LqSGcI88U6R6ipOs3uCesdc6yl7nl+zNO0t8LmqAdXcQihw== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0", "vite@^4.2.0 || ^5.0.0 || ^6.0.0 || ^7.0.0", vite@^7.1.6: + version "7.1.6" + resolved "https://registry.npmjs.org/vite/-/vite-7.1.6.tgz" + integrity sha512-SRYIB8t/isTwNn8vMB3MR6E+EQZM/WG1aKmmIUCfDXfVvKfc20ZpamngWHKzAmmu9ppsgxsg4b2I7c90JZudIQ== dependencies: esbuild "^0.25.0" fdir "^6.5.0" picomatch "^4.0.3" postcss "^8.5.6" rollup "^4.43.0" - tinyglobby "^0.2.14" + tinyglobby "^0.2.15" optionalDependencies: fsevents "~2.3.3" @@ -8421,11 +8410,6 @@ yaml@^1.10.0: resolved "https://registry.npmjs.org/yaml/-/yaml-1.10.2.tgz" integrity sha512-r3vXyErRCYJ7wg28yvBY5VSoAF8ZvlcW9/BwUzEtUsjvX/DKs24dIkuwjtuprwJJHsbyUbLApepYTR1BN4uHrg== -yaml@^2.4.2: - version "2.7.0" - resolved "https://registry.npmjs.org/yaml/-/yaml-2.7.0.tgz" - integrity sha512-+hSoy/QHluxmC9kCIJyL/uyFmLmc+e5CFR5Wa+bpIhIj85LVb9ZH2nVnqrHoSvKogwODv0ClqZkmiSSaIH5LTA== - yargs-parser@^21.1.1: version "21.1.1" resolved "https://registry.npmjs.org/yargs-parser/-/yargs-parser-21.1.1.tgz" From 569abf0dcee9a492babe801aae947a7e284fa565 Mon Sep 17 00:00:00 2001 From: Nisha Sharma Date: Thu, 30 Oct 2025 09:27:11 +0100 Subject: [PATCH 04/28] chore: whitelist new ELN origin - https://eln.crc1333.de/ --- src/allowed-origins.json | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/allowed-origins.json b/src/allowed-origins.json index 363c065..67bfb0d 100644 --- a/src/allowed-origins.json +++ b/src/allowed-origins.json @@ -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/" ] From 62727c9204683d0b75fb393e46c28f08512c027c Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Mon, 20 Oct 2025 13:11:16 +0200 Subject: [PATCH 05/28] chore: update dependencies --- package-lock.json | 1072 ++++++++++++++++++++++++------------------- package.json | 30 +- yarn.lock | 1101 ++++++++++++++++++++++++--------------------- 3 files changed, 1202 insertions(+), 1001 deletions(-) diff --git a/package-lock.json b/package-lock.json index bca664d..e4f2332 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,11 +9,11 @@ "version": "1.0.0", "license": "MIT", "dependencies": { - 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"zod": "^3.25.0" + "zod": "^3.25.0 || ^4.0.0" } } } diff --git a/package.json b/package.json index 4d3cef8..4cf72a6 100644 --- a/package.json +++ b/package.json @@ -13,11 +13,11 @@ "node": "24.4.0" }, "dependencies": { - "@blueprintjs/core": "^6.3.1", - "@blueprintjs/icons": "^6.1.0", - "@blueprintjs/select": "^6.0.5", + "@blueprintjs/core": "^6.3.2", + "@blueprintjs/icons": "^6.2.0", + "@blueprintjs/select": "^6.0.6", "@emotion/styled": "^11.14.1", - "@vitejs/plugin-react": "^5.0.3", + "@vitejs/plugin-react": "^5.0.4", "@zakodium/nmrium-core": "^0.1.7", "@zakodium/nmrium-core-plugins": "^0.1.10", "fifo-logger": "^2.0.1", @@ -25,7 +25,7 @@ "nmr-processing": "^19.1.0", "nmrium": "^1.3.0", "openchemlib": "^9.8.0", - "react-science": "^19.1.0" + "react-science": "^19.3.1" }, "scripts": { "start": "vite --host localhost --port 3000 --open", @@ -46,25 +46,25 @@ "@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", + "@playwright/test": "^1.56.1", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^30.0.0", - 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"nmr-processing": "^19.1.0", + "nmr-processing": "^19.4.1", "numeral": "^2.0.6", - "openchemlib": "^9.7.0", - "openchemlib-utils": "^8.2.1", + "openchemlib": "^9.11.1", + "openchemlib-utils": "^8.6.0", "papaparse": "^5.5.3", "react-d3-utils": "^3.1.2", "react-dropzone": "^14.3.8", "react-error-boundary": "^6.0.0", - "react-hook-form": "^7.62.0", + "react-hook-form": "^7.64.0", "react-icons": "^5.5.0", - "react-inspector": "^6.0.2", + "react-inspector": "^9.0.0", "react-mf": "^3.1.1", - "react-ocl": "^8.2.0", + "react-ocl": "^8.3.0", "react-ocl-nmr": "^4.1.1", "react-plot": "^3.1.1", "react-rnd": "^10.5.2", - "react-science": "^19.1.0", + "react-science": "^19.3.0", "react-table": "^7.8.0", - "smart-array-filter": "^4.1.1", - "yup": "^1.7.0" + "smart-array-filter": "^5.0.0", + "yup": "^1.7.1" }, "peerDependencies": { "@blueprintjs/core": "^6.0.0", @@ -11656,15 +11430,15 @@ } }, "node_modules/openchemlib": { - "version": "9.8.0", - "resolved": "https://registry.npmjs.org/openchemlib/-/openchemlib-9.8.0.tgz", - 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"react": "^16.8.4 || ^17.0.0 || ^18.0.0" + "react": "^18.0.0 || ^19.0.0" } }, "node_modules/react-is": { @@ -12492,9 +12266,9 @@ } }, "node_modules/react-ocl": { - "version": "8.2.0", - "resolved": "https://registry.npmjs.org/react-ocl/-/react-ocl-8.2.0.tgz", - "integrity": "sha512-S0JsH9uqpz06z5jfnUwl3HwulNZ0WwJdQaHo7Jl4y+cVb3XKOqzGToAlvSFtNzpTLKH+6Y9KdYcKtrUVrXIXRQ==", + "version": "8.3.0", + "resolved": "https://registry.npmjs.org/react-ocl/-/react-ocl-8.3.0.tgz", + "integrity": "sha512-UHdJpmnKbKspfvon0zz93lOQjAWJyAcL8iMKAUf4fh3KvbSv7m+C+dkSRhhh0DkBu92WI060u1IwbG9pM5l6BA==", "license": "MIT", "peerDependencies": { "openchemlib": ">=8", @@ -12648,15 +12422,6 @@ "react-dom": ">=18.0.0" } }, - "node_modules/react-science/node_modules/react-inspector": { - "version": "9.0.0", - "resolved": "https://registry.npmjs.org/react-inspector/-/react-inspector-9.0.0.tgz", - "integrity": "sha512-w/VJucSeHxlwRa2nfM2k7YhpT1r5EtlDOClSR+L7DyQP91QMdfFEDXDs9bPYN4kzP7umFtom7L0b2GGjph4Kow==", - "license": "MIT", - "peerDependencies": { - "react": "^18.0.0 || ^19.0.0" - } - }, "node_modules/react-table": { "version": "7.8.0", "resolved": "https://registry.npmjs.org/react-table/-/react-table-7.8.0.tgz", @@ -12946,12 +12711,6 @@ "node": ">=0.10.0" } }, - "node_modules/robust-predicates": { - "version": "3.0.2", - "resolved": "https://registry.npmjs.org/robust-predicates/-/robust-predicates-3.0.2.tgz", - "integrity": "sha512-IXgzBWvWQwE6PrDI05OvmXUIruQTcoMDzRsOd5CDvHCVLcLHMTSYvOK5Cm46kWqlV3yAbuSpBZdJ5oP5OUoStg==", - "license": "Unlicense" - }, "node_modules/rollup": { "version": "4.44.1", "resolved": "https://registry.npmjs.org/rollup/-/rollup-4.44.1.tgz", @@ -13015,12 +12774,6 @@ "queue-microtask": "^1.2.2" } }, - "node_modules/rw": { - "version": "1.3.3", - "resolved": "https://registry.npmjs.org/rw/-/rw-1.3.3.tgz", - "integrity": "sha512-PdhdWy89SiZogBLaw42zdeqtRJ//zFd2PgQavcICDUgJT5oW10QCRKbJ6bg4r0/UY2M6BWd5tkxuGFRvCkgfHQ==", - "license": "BSD-3-Clause" - }, "node_modules/safe-array-concat": { "version": "1.1.3", "resolved": "https://registry.npmjs.org/safe-array-concat/-/safe-array-concat-1.1.3.tgz", @@ -13096,12 +12849,6 @@ "url": "https://github.com/sponsors/ljharb" } }, - "node_modules/safer-buffer": { - "version": "2.1.2", - "resolved": "https://registry.npmjs.org/safer-buffer/-/safer-buffer-2.1.2.tgz", - "integrity": "sha512-YZo3K82SD7Riyi0E1EQPojLz7kpepnSQI9IyPbHHg1XXXevb5dJI7tpyN2ADxGcQbHG7vcyRHk0cbwqcQriUtg==", - "license": "MIT" - }, "node_modules/scheduler": { "version": "0.23.2", "resolved": "https://registry.npmjs.org/scheduler/-/scheduler-0.23.2.tgz", @@ -13438,9 +13185,9 @@ } }, "node_modules/smart-array-filter": { - "version": "4.1.1", - "resolved": "https://registry.npmjs.org/smart-array-filter/-/smart-array-filter-4.1.1.tgz", - "integrity": "sha512-xvUAm7zqPzaBFcdJsCFo5AHqhXPZlyCXXWkxSH1xqKYN30QMDypFPjmll6HuFc9JRXOoblTdXQV+Gc0XXWDUHQ==", + "version": "5.0.0", + "resolved": "https://registry.npmjs.org/smart-array-filter/-/smart-array-filter-5.0.0.tgz", + "integrity": "sha512-GvS9w8VqhEgw+sy7yynKnhdOevSx4bBmST1qFwr0w2m0g6Jk4e1JyeLkXVi2unHftWWg/Ev4ieMpACNDpKgE+g==", "license": "MIT", "dependencies": { "lodash.escaperegexp": "^4.1.2" @@ -13536,9 +13283,9 @@ "license": "CC0-1.0" }, "node_modules/spectrum-generator": { - "version": "8.1.0", - "resolved": "https://registry.npmjs.org/spectrum-generator/-/spectrum-generator-8.1.0.tgz", - "integrity": "sha512-OJxJ7fGR+cJ9AyQegeaKaZtjGh+lxk/9A6UFBoeodduI82VIKpm0bjjSd2Q6t5BIFLsYicbMztY1hcx+55Oe2w==", + "version": "8.1.1", + "resolved": "https://registry.npmjs.org/spectrum-generator/-/spectrum-generator-8.1.1.tgz", + "integrity": "sha512-u5xXYVKV/cZ4gNjFjwcJ4eqMui+XVKEoRWqxdI/Bu0hEx1gRTHzBL4dlJwnhaad+J887X77k03bVAigRXOwKxA==", "license": "MIT", "dependencies": { "ml-peak-shape-generator": "^4.1.4", @@ -15544,9 +15291,9 @@ } }, "node_modules/yup": { - "version": "1.7.0", - "resolved": "https://registry.npmjs.org/yup/-/yup-1.7.0.tgz", - "integrity": "sha512-VJce62dBd+JQvoc+fCVq+KZfPHr+hXaxCcVgotfwWvlR0Ja3ffYKaJBT8rptPOSKOGJDCUnW2C2JWpud7aRP6Q==", + "version": "1.7.1", + "resolved": "https://registry.npmjs.org/yup/-/yup-1.7.1.tgz", + "integrity": "sha512-GKHFX2nXul2/4Dtfxhozv701jLQHdf6J34YDh2cEkpqoo8le5Mg6/LrdseVLrFarmFygZTlfIhHx/QKfb/QWXw==", "license": "MIT", "dependencies": { "property-expr": "^2.0.5", diff --git a/package.json b/package.json index 4cf72a6..f119fda 100644 --- a/package.json +++ b/package.json @@ -18,13 +18,13 @@ "@blueprintjs/select": "^6.0.6", "@emotion/styled": "^11.14.1", "@vitejs/plugin-react": "^5.0.4", - "@zakodium/nmrium-core": "^0.1.7", - "@zakodium/nmrium-core-plugins": "^0.1.10", + "@zakodium/nmrium-core": "^0.2.3", + "@zakodium/nmrium-core-plugins": "^0.3.6", "fifo-logger": "^2.0.1", "filelist-utils": "^1.11.3", - "nmr-processing": "^19.1.0", - "nmrium": "^1.3.0", - "openchemlib": "^9.8.0", + "nmr-processing": "^19.4.1", + "nmrium": "^1.6.1", + "openchemlib": "^9.12.0", "react-science": "^19.3.1" }, "scripts": { diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index b9a7dc9..b2c4ac4 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -1,7 +1,8 @@ -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'; @@ -37,8 +38,6 @@ const styles: Record<'container' | 'loadingContainer', CSSProperties> = { export default function NMRiumWrapper() { const { allowedOrigins, isFetchAllowedOriginsPending } = useWhiteList(); const nmriumRef = useRef(null); - const [data, setDate] = useState(); - const { workspace, preferences, defaultEmptyMessage, customWorkspaces } = usePreferences(); const dataChangeHandler = useCallback((state, source) => { @@ -48,13 +47,7 @@ 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( @@ -85,7 +78,7 @@ export default function NMRiumWrapper() { (loadData) => { switch (loadData.type) { case 'nmrium': - setDate(loadData.data); + setData(loadData.data as NmriumData); break; case 'file': { const { data: files, activeTab } = loadData; @@ -122,7 +115,7 @@ export default function NMRiumWrapper() { )} ); } - -export { type NMRiumData } from 'nmrium'; diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index 61506c8..ab8fad0 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -1,5 +1,5 @@ import type { - NmriumState, + NmriumData, ParsingOptions, ViewState, } from '@zakodium/nmrium-core'; @@ -64,20 +64,19 @@ async function loadSpectraFromURLs(urls: string[]) { return data; } -type NMRiumData = NmriumState['data']; - type LoadOptions = | { urls: string[]; activeTab?: string } | { files: File[]; activeTab?: string }; interface UseLoadSpectraResult { - data: { version: number; data: NMRiumData }; + data: { version: number; data: NmriumData }; load: (options: LoadOptions) => void; + setData: (data: NmriumData) => void; isLoading: boolean; } export function useLoadSpectra(): UseLoadSpectraResult { - const [data, setData] = useState({ spectra: [], molecules: [] }); + const [data, setData] = useState({ spectra: [], molecules: [] }); const [activeTab, setActiveTab] = useState(); const [isLoading, setLoading] = useState(false); @@ -87,14 +86,14 @@ export function useLoadSpectra(): UseLoadSpectraResult { if ('urls' in options) { if (isArrayOfString(options.urls)) { const result = await loadSpectraFromURLs(options.urls); - setData(result as NMRiumData); + setData(result as NmriumData); 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 as NmriumData); setActiveTab(options?.activeTab); } } catch (error: unknown) { @@ -117,6 +116,7 @@ export function useLoadSpectra(): UseLoadSpectraResult { data: { version: CURRENT_EXPORT_VERSION, data, view }, load, isLoading, + setData, }; }, [activeTab, data, isLoading, load]); } diff --git a/src/hooks/usePreferences.ts b/src/hooks/usePreferences.ts index cf6089c..1aadf4b 100644 --- a/src/hooks/usePreferences.ts +++ b/src/hooks/usePreferences.ts @@ -3,63 +3,58 @@ import type { WorkspacePreferences, } from '@zakodium/nmrium-core'; import type { NMRiumWorkspace } from 'nmrium'; -import { useLayoutEffect, useState } from 'react'; import { getNmrXivWorkspace } from '../workspaces/nmrxiv.js'; -interface Preferences { - preferences: WorkspacePreferences | undefined; - workspace: NMRiumWorkspace | undefined; - defaultEmptyMessage: string | undefined; - customWorkspaces: CustomWorkspaces; -} +export function usePreferences() { + const { href } = window.location; + const parameters = new URL(href).searchParams; -const DEFAULT_PREFERENCES = { - preferences: undefined, - workspace: undefined, - defaultEmptyMessage: undefined, - customWorkspaces: {}, -}; + let preferences: WorkspacePreferences | undefined; + let workspace: NMRiumWorkspace | undefined; + let defaultEmptyMessage: string | undefined; + let hidePanelOnLoad = false; -export function usePreferences() { - const [configuration, setConfiguration] = - useState(DEFAULT_PREFERENCES); + if (parameters.has('workspace')) { + workspace = parameters.get('workspace') as NMRiumWorkspace; + } - useLayoutEffect(() => { - const { href } = window.location; - const parameters = new URL(href).searchParams; + if (parameters.has('preferences')) { + preferences = JSON.parse(parameters.get('preferences') || ''); + } - let preferences: WorkspacePreferences | undefined; - let workspace: NMRiumWorkspace | undefined; - let defaultEmptyMessage: string | undefined; - let hidePanelOnLoad = false; + if (parameters.has('defaultEmptyMessage')) { + defaultEmptyMessage = parameters.get('defaultEmptyMessage') as string; + } + if (parameters.has('hidePanelOnLoad')) { + hidePanelOnLoad = + parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true'; + } - if (parameters.has('workspace')) { - workspace = parameters.get('workspace') as NMRiumWorkspace; - } + const customWorkspaces = createCustomWorkspaces({ hidePanelOnLoad }); - if (parameters.has('preferences')) { - preferences = JSON.parse(parameters.get('preferences') || ''); - } + if (parameters.has('workspace')) { + workspace = parameters.get('workspace') as NMRiumWorkspace; + } - if (parameters.has('defaultEmptyMessage')) { - defaultEmptyMessage = parameters.get('defaultEmptyMessage') as string; - } - if (parameters.has('hidePanelOnLoad')) { - hidePanelOnLoad = - parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true'; - } + if (parameters.has('preferences')) { + preferences = JSON.parse(parameters.get('preferences') || ''); + } - const customWorkspaces = createCustomWorkspaces({ hidePanelOnLoad }); - setConfiguration({ - preferences, - workspace, - defaultEmptyMessage, - customWorkspaces, - }); - }, []); + if (parameters.has('defaultEmptyMessage')) { + defaultEmptyMessage = parameters.get('defaultEmptyMessage') as string; + } + if (parameters.has('hidePanelOnLoad')) { + hidePanelOnLoad = + parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true'; + } - return configuration; + return { + preferences, + workspace, + defaultEmptyMessage, + customWorkspaces, + }; } interface CreateCustomWorkspacesOptions { diff --git a/yarn.lock b/yarn.lock index 40f786c..f46dc19 100644 --- a/yarn.lock +++ b/yarn.lock @@ -32,7 +32,7 @@ "@atlaskit/pragmatic-drag-and-drop" "^1.6.0" "@babel/runtime" "^7.0.0" -"@atlaskit/pragmatic-drag-and-drop@^1.6.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.4", "@atlaskit/pragmatic-drag-and-drop@^1.7.7": +"@atlaskit/pragmatic-drag-and-drop@^1.6.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.7": version "1.7.7" resolved "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop/-/pragmatic-drag-and-drop-1.7.7.tgz" integrity sha512-jX+68AoSTqO/fhCyJDTZ38Ey6/wyL2Iq+J/moanma0YyktpnoHxevjY1UNJHYp0NCburdQDZSL1ZFac1mO1osQ== @@ -1416,10 +1416,10 @@ "@eslint/core" "^0.16.0" levn "^0.4.1" -"@hookform/resolvers@^5.2.1": - 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"@blueprintjs/core": "^6.3.2", - "@blueprintjs/icons": "^6.2.0", - "@blueprintjs/select": "^6.0.6", + "@blueprintjs/core": "^6.6.1", + "@blueprintjs/icons": "^6.5.0", + "@blueprintjs/select": "^6.0.13", "@emotion/styled": "^11.14.1", - "@vitejs/plugin-react": "^5.0.4", + "@vitejs/plugin-react": "^5.1.2", "@zakodium/nmrium-core": "^0.2.3", "@zakodium/nmrium-core-plugins": "^0.3.6", "fifo-logger": "^2.0.1", @@ -21,32 +21,32 @@ "nmr-processing": "^19.4.1", "nmrium": "^1.6.1", "openchemlib": "^9.12.0", - "react-science": "^19.3.1" + "react-science": "^19.4.0" }, "devDependencies": { - "@babel/plugin-transform-modules-commonjs": "^7.27.1", - "@babel/preset-react": "^7.27.1", - "@babel/preset-typescript": "^7.27.1", - "@playwright/test": "^1.56.1", + "@babel/plugin-transform-modules-commonjs": "^7.28.6", + "@babel/preset-react": "^7.28.5", + "@babel/preset-typescript": "^7.28.5", + "@playwright/test": "^1.57.0", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^30.0.0", - "@types/node": "^24.8.1", + "@types/node": "^25.0.9", "@types/react": "^18.3.3", "@types/react-dom": "^18.3.0", "@types/react-router-dom": "^5.3.3", "cross-env": "^10.1.0", - "eslint": "^9.38.0", - "eslint-config-cheminfo-react": "^18.0.1", - "eslint-config-cheminfo-typescript": "^20.0.0", + "eslint": "^9.39.2", + "eslint-config-cheminfo-react": "^19.1.0", + "eslint-config-cheminfo-typescript": "^21.1.0", "jest": "^30.2.0", - "prettier": "3.6.2", + "prettier": "3.8.0", "react": "^18.3.1", "react-dom": "^18.3.1", - "react-router-dom": "^7.9.4", + "react-router-dom": "^7.12.0", "serve": "^14.2.5", "typescript": "^5.9.3", - "vite": "^7.1.11", - "vite-plugin-pwa": "^1.1.0" + "vite": "^7.3.1", + "vite-plugin-pwa": "^1.2.0" } }, "node_modules/@aashutoshrathi/word-wrap": { @@ -91,12 +91,12 @@ } }, "node_modules/@babel/code-frame": { - "version": "7.27.1", - "resolved": "https://registry.npmjs.org/@babel/code-frame/-/code-frame-7.27.1.tgz", - "integrity": "sha512-cjQ7ZlQ0Mv3b47hABuTevyTuYN4i+loJKGeV9flcCgIK37cCXRh+L1bd3iBHlynerhQ7BhCkn2BPbQUL+rGqFg==", + "version": "7.28.6", + "resolved": "https://registry.npmjs.org/@babel/code-frame/-/code-frame-7.28.6.tgz", + "integrity": "sha512-JYgintcMjRiCvS8mMECzaEn+m3PfoQiyqukOMCCVQtoJGYJw8j/8LBJEiqkHLkfwCcs74E3pbAUFNg7d9VNJ+Q==", "license": "MIT", "dependencies": { - "@babel/helper-validator-identifier": "^7.27.1", + "@babel/helper-validator-identifier": "^7.28.5", "js-tokens": "^4.0.0", "picocolors": "^1.1.1" }, @@ -105,29 +105,30 @@ } }, "node_modules/@babel/compat-data": { - "version": "7.28.0", - "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.0.tgz", - "integrity": "sha512-60X7qkglvrap8mn1lh2ebxXdZYtUcpd7gsmy9kLaBJ4i/WdY8PqTSdxyA8qraikqKQK5C1KRBKXqznrVapyNaw==", + "version": "7.28.6", + "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.6.tgz", + "integrity": "sha512-2lfu57JtzctfIrcGMz992hyLlByuzgIk58+hhGCxjKZ3rWI82NnVLjXcaTqkI2NvlcvOskZaiZ5kjUALo3Lpxg==", "license": "MIT", "engines": { "node": ">=6.9.0" } }, "node_modules/@babel/core": { - "version": "7.28.4", - "resolved": "https://registry.npmjs.org/@babel/core/-/core-7.28.4.tgz", - "integrity": "sha512-2BCOP7TN8M+gVDj7/ht3hsaO/B/n5oDbiAyyvnRlNOs+u1o+JWNYTQrmpuNp1/Wq2gcFrI01JAW+paEKDMx/CA==", - "license": "MIT", - "dependencies": { - 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version "8.3.0" - resolved "https://registry.npmjs.org/react-ocl/-/react-ocl-8.3.0.tgz" - integrity sha512-UHdJpmnKbKspfvon0zz93lOQjAWJyAcL8iMKAUf4fh3KvbSv7m+C+dkSRhhh0DkBu92WI060u1IwbG9pM5l6BA== +react-ocl@^8.2.0, react-ocl@^8.4.0: + version "8.5.0" + resolved "https://registry.npmjs.org/react-ocl/-/react-ocl-8.5.0.tgz" + integrity sha512-IOgPuJCcGs36iiiWjVz1EuHzutlmFQak7H+YXEy0cjEodZeL7HWAqrjWzd1/uyKIpDL+Hkqzk8RNVyWt2j18xg== + dependencies: + "@emotion/styled" "^11.14.1" -react-plot@^3.1.1: - version "3.1.1" - resolved "https://registry.npmjs.org/react-plot/-/react-plot-3.1.1.tgz" - integrity sha512-m2OqV/aNjqmwtBxPqIke5TrQjrq2OKqw7fMTGD2PP2euBX9hrLMPCyP0p7db3StRJv7MJP7i9fXX7FLZu68EhQ== +react-plot@^3.1.2: + version "3.1.2" + resolved "https://registry.npmjs.org/react-plot/-/react-plot-3.1.2.tgz" + integrity sha512-3/eg0cS5WBsOBlE5jNKwF99K8LXwKendQHQeOsPsHI4VNZqBftd/Zu843fZSJyrEvkLoUcRpxDXtXbTasiRj6A== dependencies: d3-array "^3.2.4" d3-scale "^4.0.2" d3-scale-chromatic "^3.1.0" d3-shape "^3.2.0" - immer "^10.1.1" - ml-distance-euclidean "^2.0.0" + immer "^11.0.0" + ml-distance-euclidean "^3.0.1" react-d3-utils "^3.1.2" react-popper@^2.3.0: @@ -6492,7 +6497,7 @@ react-router@7.12.0: cookie "^1.0.1" set-cookie-parser "^2.6.0" -react-science@^19.3.0, react-science@^19.4.0: +react-science@^19.4.0: version "19.4.0" resolved "https://registry.npmjs.org/react-science/-/react-science-19.4.0.tgz" integrity sha512-VHsyk3dY5sTaZ1FYViauQ6VZtrx3Ksnbo00zUr0fmd2uZ2cLJa5qDgiYkWAzdZ59AAMvccWuxcSH1ba8Q+QpPg== @@ -7601,7 +7606,7 @@ uri-js@^4.2.2: dependencies: punycode "^2.1.0" -use-sync-external-store@^1.2.0, use-sync-external-store@^1.5.0: +use-sync-external-store@^1.2.0, use-sync-external-store@^1.6.0: version "1.6.0" resolved "https://registry.npmjs.org/use-sync-external-store/-/use-sync-external-store-1.6.0.tgz" integrity sha512-Pp6GSwGP/NrPIrxVFAIkOQeyw8lFenOHijQWkUTrDvrF4ALqylP2C/KCkeS9dpUM3KvYRQhna5vt7IL95+ZQ9w== @@ -7996,7 +8001,7 @@ yup@^1.7.1: resolved "https://registry.npmjs.org/zod-validation-error/-/zod-validation-error-4.0.2.tgz" integrity sha512-Q6/nZLe6jxuU80qb/4uJ4t5v2VEZ44lzQjPDhYJNztRQ4wyWc6VF3D3Kb/fAuPetZQnhS3hnajCf9CsWesghLQ== -"zod@^3.25.0 || ^4.0.0", zod@^4.1.12: - version "4.1.12" - resolved "https://registry.npmjs.org/zod/-/zod-4.1.12.tgz" - integrity sha512-JInaHOamG8pt5+Ey8kGmdcAcg3OL9reK8ltczgHTAwNhMys/6ThXHityHxVV2p3fkw/c+MAvBHFVYHFZDmjMCQ== +"zod@^3.25.0 || ^4.0.0", zod@^4.1.12, zod@^4.1.13: + version "4.3.5" + resolved "https://registry.npmjs.org/zod/-/zod-4.3.5.tgz" + integrity sha512-k7Nwx6vuWx1IJ9Bjuf4Zt1PEllcwe7cls3VNzm4CQ1/hgtFUK2bRNG3rvnpPUhFjmqJKAKtjV576KnUkHocg/g== From deb8c93db8b201cab3af8e171fb057d46ec5c1ee Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 20 Jan 2026 13:34:36 +0100 Subject: [PATCH 09/28] feat: create a new integration workspace Add a new integration workspace cloned from the default workspace. This workspace supports disabling import and hiding the panel on load via query parameters. --- src/hooks/usePreferences.ts | 18 +++++-- src/workspaces/integration.ts | 89 +++++++++++++++++++++++++++++++++++ 2 files changed, 102 insertions(+), 5 deletions(-) create mode 100644 src/workspaces/integration.ts diff --git a/src/hooks/usePreferences.ts b/src/hooks/usePreferences.ts index 1aadf4b..567aebc 100644 --- a/src/hooks/usePreferences.ts +++ b/src/hooks/usePreferences.ts @@ -4,6 +4,8 @@ import type { } from '@zakodium/nmrium-core'; import type { NMRiumWorkspace } from 'nmrium'; +import type { WorkspaceOptions } from '../workspaces/integration.js'; +import { getIntegrationWorkspace } from '../workspaces/integration.js'; import { getNmrXivWorkspace } from '../workspaces/nmrxiv.js'; export function usePreferences() { @@ -14,6 +16,7 @@ export function usePreferences() { let workspace: NMRiumWorkspace | undefined; let defaultEmptyMessage: string | undefined; let hidePanelOnLoad = false; + let disableImport = false; if (parameters.has('workspace')) { workspace = parameters.get('workspace') as NMRiumWorkspace; @@ -30,8 +33,14 @@ export function usePreferences() { hidePanelOnLoad = parameters.get('hidePanelOnLoad')?.toLowerCase() === 'true'; } + if (parameters.has('disableImport')) { + disableImport = parameters.get('disableImport')?.toLowerCase() === 'true'; + } - const customWorkspaces = createCustomWorkspaces({ hidePanelOnLoad }); + const customWorkspaces = createCustomWorkspaces({ + hidePanelOnLoad, + disableImport, + }); if (parameters.has('workspace')) { workspace = parameters.get('workspace') as NMRiumWorkspace; @@ -57,16 +66,15 @@ export function usePreferences() { }; } -interface CreateCustomWorkspacesOptions { - hidePanelOnLoad?: boolean; -} +type CreateCustomWorkspacesOptions = WorkspaceOptions; function createCustomWorkspaces( options: CreateCustomWorkspacesOptions, ): CustomWorkspaces { - const { hidePanelOnLoad = false } = options; + const { hidePanelOnLoad, disableImport } = options; return { + integration: getIntegrationWorkspace({ disableImport, hidePanelOnLoad }), nmrXiv: getNmrXivWorkspace(hidePanelOnLoad), }; } diff --git a/src/workspaces/integration.ts b/src/workspaces/integration.ts new file mode 100644 index 0000000..153accd --- /dev/null +++ b/src/workspaces/integration.ts @@ -0,0 +1,89 @@ +import type { InnerWorkspace } from '@zakodium/nmrium-core'; + +export interface WorkspaceOptions { + hidePanelOnLoad?: boolean; + disableImport?: boolean; +} + +export function getIntegrationWorkspace( + options: WorkspaceOptions, +): InnerWorkspace { + const { disableImport = false, hidePanelOnLoad = false } = options; + return { + label: 'Integration', + general: { + dimmedSpectraOpacity: 0.4, + verticalSplitterPosition: '560px', + verticalSplitterCloseThreshold: 600, + spectraRendering: 'auto', + loggingLevel: 'info', + popupLoggingLevel: 'error', + invert: true, + invertScroll: false, + }, + display: { + general: { + experimentalFeatures: { + display: true, + visible: true, + }, + hidePanelOnLoad, + hideHelp: true, + hideLogs: true, + hideWorkspaces: true, + hideGeneralSettings: true, + }, + + panels: { + spectraPanel: { display: true, visible: true, open: true }, + informationPanel: { display: true, visible: true, open: false }, + rangesPanel: { display: true, visible: true, open: false }, + structuresPanel: { display: true, visible: true, open: false }, + processingsPanel: { display: true, visible: true, open: false }, + zonesPanel: { display: true, visible: true, open: false }, + summaryPanel: { display: true, visible: true, open: false }, + automaticAssignmentPanel: { + display: false, + visible: true, + open: false, + }, + simulationPanel: { display: false, visible: true, open: false }, + predictionPanel: { display: false, visible: true, open: false }, + peaksPanel: { display: false, visible: true, open: false }, + multipleSpectraAnalysisPanel: { + display: false, + visible: true, + open: false, + }, + matrixGenerationPanel: { display: false, visible: true, open: false }, + integralsPanel: { display: false, visible: true, open: false }, + databasePanel: { display: false, visible: true, open: false }, + }, + toolBarButtons: { + baselineCorrection: true, + exclusionZones: true, + exportAs: true, + fft: true, + import: !disableImport, + multipleSpectraAnalysis: true, + phaseCorrection: true, + rangePicking: true, + realImaginary: true, + slicing: true, + spectraCenterAlignments: true, + spectraStackAlignments: true, + apodization: true, + zeroFilling: true, + zonePicking: true, + zoomOut: true, + zoom: true, + autoRangeAndZonePicking: true, + fftDimension1: true, + fftDimension2: true, + }, + }, + onLoadProcessing: { + autoProcessing: true, + }, + }; +} From 9898a58360724f9d05015e774d33c34efa479035 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 29 Jan 2026 10:07:55 +0100 Subject: [PATCH 10/28] chore: update dependencies --- package-lock.json | 132 ++++++++++++++++++++-------------------- package.json | 16 ++--- yarn.lock | 150 +++++++++++++++++++++++----------------------- 3 files changed, 149 insertions(+), 149 deletions(-) diff --git a/package-lock.json b/package-lock.json index 6d08743..6b9b3cb 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,9 +9,9 @@ "version": "1.0.0", "license": "MIT", "dependencies": { - "@blueprintjs/core": "^6.6.1", - "@blueprintjs/icons": "^6.5.0", - "@blueprintjs/select": "^6.0.13", + "@blueprintjs/core": "^6.7.0", + "@blueprintjs/icons": "^6.5.1", + "@blueprintjs/select": "^6.0.14", "@emotion/styled": "^11.14.1", "@vitejs/plugin-react": "^5.1.2", "@zakodium/nmrium-core": "^0.5.8", @@ -21,16 +21,16 @@ "nmr-processing": "^22.1.0", "nmrium": "^1.10.1", "openchemlib": "^9.19.0", - "react-science": "^19.4.0" + "react-science": "^19.5.0" }, "devDependencies": { "@babel/plugin-transform-modules-commonjs": "^7.28.6", "@babel/preset-react": "^7.28.5", "@babel/preset-typescript": "^7.28.5", - "@playwright/test": "^1.57.0", + "@playwright/test": "^1.58.0", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^30.0.0", - "@types/node": "^25.0.9", + "@types/node": "^25.1.0", "@types/react": "^18.3.3", "@types/react-dom": "^18.3.0", "@types/react-router-dom": "^5.3.3", @@ -39,10 +39,10 @@ "eslint-config-cheminfo-react": "^19.1.0", "eslint-config-cheminfo-typescript": "^21.1.0", "jest": "^30.2.0", - "prettier": "3.8.0", + "prettier": "3.8.1", "react": "^18.3.1", "react-dom": "^18.3.1", - "react-router-dom": "^7.12.0", + "react-router-dom": "^7.13.0", "serve": "^14.2.5", "typescript": "^5.9.3", "vite": "^7.3.1", @@ -1991,23 +1991,23 @@ "license": "MIT" }, "node_modules/@blueprintjs/colors": { - "version": "5.1.12", - "resolved": "https://registry.npmjs.org/@blueprintjs/colors/-/colors-5.1.12.tgz", - "integrity": "sha512-7GQWUQ82eLE1te++DC8fRO2B31bsSwia82NLamZfKgjHY9V4zxafMT1DK5gKlmmy0nCjpdcCc+df4aVZMHGLww==", + "version": "5.1.13", + "resolved": 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"^5.5.0" react-inspector "^9.0.0" tinycolor2 "^1.6.0" - ts-pattern "^5.8.0" - zod "^4.1.12" + ts-pattern "^5.9.0" + zod "^4.3.5" react-table@^7.8.0: version "7.8.0" @@ -7365,10 +7365,10 @@ ts-api-utils@^2.4.0: resolved "https://registry.npmjs.org/ts-api-utils/-/ts-api-utils-2.4.0.tgz" integrity sha512-3TaVTaAv2gTiMB35i3FiGJaRfwb3Pyn/j3m/bfAvGe8FB7CF6u+LMYqYlDh7reQf7UNvoTvdfAqHGmPGOSsPmA== -ts-pattern@^5.8.0: - version "5.8.0" - resolved "https://registry.npmjs.org/ts-pattern/-/ts-pattern-5.8.0.tgz" - integrity sha512-kIjN2qmWiHnhgr5DAkAafF9fwb0T5OhMVSWrm8XEdTFnX6+wfXwYOFjeF86UZ54vduqiR7BfqScFmXSzSaH8oA== +ts-pattern@^5.9.0: + version "5.9.0" + resolved "https://registry.npmjs.org/ts-pattern/-/ts-pattern-5.9.0.tgz" + integrity sha512-6s5V71mX8qBUmlgbrfL33xDUwO0fq48rxAu2LBE11WBeGdpCPOsXksQbZJHvHwhrd3QjUusd3mAOM5Gg0mFBLg== tsconfig-paths@^3.15.0: version "3.15.0" @@ -8001,7 +8001,7 @@ yup@^1.7.1: resolved "https://registry.npmjs.org/zod-validation-error/-/zod-validation-error-4.0.2.tgz" integrity sha512-Q6/nZLe6jxuU80qb/4uJ4t5v2VEZ44lzQjPDhYJNztRQ4wyWc6VF3D3Kb/fAuPetZQnhS3hnajCf9CsWesghLQ== -"zod@^3.25.0 || ^4.0.0", zod@^4.1.12, zod@^4.1.13: +"zod@^3.25.0 || ^4.0.0", zod@^4.1.13, zod@^4.3.5: version "4.3.5" resolved "https://registry.npmjs.org/zod/-/zod-4.3.5.tgz" integrity sha512-k7Nwx6vuWx1IJ9Bjuf4Zt1PEllcwe7cls3VNzm4CQ1/hgtFUK2bRNG3rvnpPUhFjmqJKAKtjV576KnUkHocg/g== From 26d387460d516aeae18f79d20a4bbf441d1c7ec0 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 29 Jan 2026 10:24:17 +0100 Subject: [PATCH 11/28] feat: update NMRium to version 1.11.0 --- package-lock.json | 111 +++++++++++++------------- package.json | 8 +- src/NMRiumWrapper.tsx | 6 +- src/demo/NMRiumWrapperDemo.tsx | 1 + src/hooks/useLoadSpectra.ts | 5 +- yarn.lock | 140 ++++++++++++++++----------------- 6 files changed, 132 insertions(+), 139 deletions(-) diff --git a/package-lock.json b/package-lock.json index 6b9b3cb..e770a18 100644 --- a/package-lock.json +++ b/package-lock.json @@ -14,12 +14,12 @@ "@blueprintjs/select": "^6.0.14", "@emotion/styled": "^11.14.1", "@vitejs/plugin-react": "^5.1.2", - "@zakodium/nmrium-core": "^0.5.8", - "@zakodium/nmrium-core-plugins": "^0.6.27", + "@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": "^22.1.0", - "nmrium": "^1.10.1", + "nmr-processing": "^22.3.0", + "nmrium": "^1.11.0", "openchemlib": "^9.19.0", "react-science": "^19.5.0" }, @@ -5042,9 +5042,9 @@ } }, "node_modules/@zakodium/nmrium-core": { - "version": "0.5.8", - "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core/-/nmrium-core-0.5.8.tgz", - "integrity": "sha512-IjBtyMgqJMUiHrtwnWcYo2cX2vFA4EFIMmwpAzrIAIULe4ScVN+Kznewxt8lvtD8RjNQRxHt8QS7B3CXcMAqDw==", + "version": "0.6.1", + "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core/-/nmrium-core-0.6.1.tgz", + "integrity": "sha512-Rx4sLDBPdwrC4rr/nNuf+ef4No1rAfBCWwuh7C/cN8l78M4HzSLnJW/vMS3OpPMpfzb89z1bX9J2nUh2gxSusg==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "cheminfo-types": "^1.8.1", @@ -5057,13 +5057,13 @@ } }, "node_modules/@zakodium/nmrium-core-plugins": { - "version": "0.6.27", - "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core-plugins/-/nmrium-core-plugins-0.6.27.tgz", - "integrity": "sha512-2DXRnxa9Os5Kk5vfak7nmeaebv53Jod5SXqOaFjnrwv8J5+dkWtqOyXCvc+6MRVt4fflJ/AsMMLu+D+qPhjD4Q==", + "version": "0.6.32", + "resolved": "https://registry.npmjs.org/@zakodium/nmrium-core-plugins/-/nmrium-core-plugins-0.6.32.tgz", + "integrity": "sha512-HddAXr2hZDy5LvRFtUziK2TGH0tHuKI+9AwAX6hJOVznhT+nbqnuVaL24BnCDiwJAD8dnykC4nV3+mCxHQIOZA==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "@date-fns/utc": "^2.1.1", - "@zakodium/nmrium-core": "^0.5.8", + "@zakodium/nmrium-core": "^0.6.1", "cheminfo-types": "^1.8.1", "convert-to-jcamp": "^6.0.0", "date-fns": "^4.1.0", @@ -5074,9 +5074,9 @@ "linear-sum-assignment": "^1.0.9", "lodash.merge": "^4.6.2", "ml-spectra-processing": "^14.18.2", - "nmr-processing": "^22.1.0", - "openchemlib": "^9.18.2", - "openchemlib-utils": "^8.8.1", + "nmr-processing": "^22.3.0", + "openchemlib": "^9.19.0", + "openchemlib-utils": "^8.12.1", "sdf-parser": "^7.0.4" } }, @@ -7893,9 +7893,9 @@ } }, "node_modules/eventemitter3": { - "version": "5.0.1", - "resolved": "https://registry.npmjs.org/eventemitter3/-/eventemitter3-5.0.1.tgz", - "integrity": "sha512-GWkBvjiSZK87ELrYOSESUYeVIc9mvLLf/nXalMOS5dYrgZq9o5OVkbZAVM06CVxYsCwH9BDZFPlQTlPA1j4ahA==", + "version": "5.0.4", + "resolved": "https://registry.npmjs.org/eventemitter3/-/eventemitter3-5.0.4.tgz", + "integrity": "sha512-mlsTRyGaPBjPedk6Bvw+aqbsXDtoAyAzm5MO7JgU+yVRyMQ5O8bD4Kcci7BS85f93veegeCPkL8R4GLClnjLFw==", "license": "MIT" }, "node_modules/execa": { @@ -10365,9 +10365,9 @@ } }, "node_modules/lodash": { - "version": "4.17.21", - "resolved": "https://registry.npmjs.org/lodash/-/lodash-4.17.21.tgz", - "integrity": "sha512-v2kDEe57lecTulaDIuNTPy3Ry4gLGJ6Z1O3vE1krgXZNrsQ+LFTGHVxVjcXPs17LhbZVGedAJv8XZ1tvj5FvSg==", + "version": "4.17.23", + "resolved": "https://registry.npmjs.org/lodash/-/lodash-4.17.23.tgz", + "integrity": "sha512-LgVTMpQtIopCi79SJeDiP0TfWi5CNEc/L/aRdTh3yIvmZXTnheWpKjSZhnvMl8iXbC1tFg9gdHHDMLoV7CnG+w==", "license": "MIT" }, "node_modules/lodash.debounce": { @@ -10867,16 +10867,16 @@ } }, "node_modules/ml-signal-processing": { - "version": "2.1.0", - "resolved": "https://registry.npmjs.org/ml-signal-processing/-/ml-signal-processing-2.1.0.tgz", - "integrity": "sha512-FgZKMMgslSnnT+WKpKwJrInKs0xYmCZb+pz/1Bcr8ks6KQrdNA2xI9jjkr74O5ZSA9RVGjGWt7gG2Ra8UhtrIw==", + "version": "2.2.0", + "resolved": "https://registry.npmjs.org/ml-signal-processing/-/ml-signal-processing-2.2.0.tgz", + "integrity": "sha512-CsUCPuqRFddU8lTCxwCmbXSRy8T/h6AbLWSoyz7ojq2tlPinQXpmj5UStbnMpbkjXRQztWdSLCTfgiASMuXX9A==", "license": "MIT", "dependencies": { "baselines": "^1.1.9", - "cheminfo-types": "^1.8.1", - "ml-gsd": "^13.0.1", + "cheminfo-types": "^1.10.0", + "ml-gsd": "^13.1.1", "ml-savitzky-golay-generalized": "^4.2.0", - "ml-spectra-processing": "^14.17.1" + "ml-spectra-processing": "^14.19.0" } }, "node_modules/ml-simple-clustering": { @@ -11030,9 +11030,9 @@ } }, "node_modules/nmr-processing": { - "version": "22.1.0", - "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.1.0.tgz", - "integrity": "sha512-l/IFlmY6akhsIolRMMWnG4Mpp7KMqwidZJR7NEWNkySmKYI8NhVMNBiCbc3e3QSu4yVyhl0hEU7ToHobpDgpPg==", + "version": "22.3.0", + "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.3.0.tgz", + "integrity": "sha512-TNNRfzFxqAoD79eYBM7mIRH5Hseq0U44WSub2XwundvGYkdNQG33XrKZa5ry84+y2yoXN7YsKbC565Puzlc6YQ==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "binary-search": "^1.3.6", @@ -11100,9 +11100,9 @@ } }, "node_modules/nmrium": { - "version": "1.10.1", - "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-1.10.1.tgz", - "integrity": "sha512-UOifallNmrZHKU4JW8LCHz7H6WlrL7iMVgvvFQ2hDO7L66gOqMnv/EHCJnrbL+eFt0cr26OXXcQho8r5l0kPpw==", + "version": "1.11.0", + "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-1.11.0.tgz", + "integrity": "sha512-gojBrTtg8Gs0K6zrjwTnFtQ0yIh4LkmphVYbP2arEcrEOQSAhpH5i6Z7/2xZbHStYmd5gHkvoXLgikX2XqCn5w==", "license": "MIT", "dependencies": { "@atlaskit/pragmatic-drag-and-drop": "^1.7.7", @@ -11110,48 +11110,48 @@ "@emotion/react": "^11.14.0", "@emotion/styled": "^11.14.1", "@hookform/resolvers": "^5.2.2", - "@tanstack/react-form": "^1.27.3", + "@tanstack/react-form": "^1.27.7", "@zakodium/nmr-types": "^0.5.0", - "@zakodium/nmrium-core": "^0.5.2", - "@zakodium/nmrium-core-plugins": "^0.6.21", + "@zakodium/nmrium-core": "^0.6.0", + "@zakodium/nmrium-core-plugins": "^0.6.29", "@zakodium/pdnd-esm": "^1.0.2", - "@zip.js/zip.js": "^2.8.11", + "@zip.js/zip.js": "^2.8.15", "cheminfo-font": "^1.13.1", - "cheminfo-types": "^1.8.1", + "cheminfo-types": "^1.10.0", "clipboard-polyfill": "^4.1.1", "d3-array": "^3.2.4", "d3-scale": "^4.0.2", "d3-zoom": "^3.0.0", "dlv": "^1.1.3", - "eventemitter3": "^5.0.1", + "eventemitter3": "^5.0.4", "fifo-logger": "^2.0.1", - "file-collection": "^6.5.0", + "file-collection": "^6.6.0", "file-saver": "^2.0.5", - "get-jpaths": "^1.1.0", - "immer": "^11.0.1", - "lodash": "^4.17.21", + "get-jpaths": "^1.4.0", + "immer": "^11.1.3", + "lodash": "^4.17.23", "mf-parser": "^3.6.0", "ml-array-mean": "^1.1.6", "ml-array-median": "^1.1.6", "ml-conrec": "^5.0.3", "ml-gsd": "^13.1.1", - "ml-signal-processing": "^2.1.0", - "ml-spectra-processing": "^14.18.2", + "ml-signal-processing": "^2.2.0", + "ml-spectra-processing": "^14.19.0", "ml-tree-similarity": "^2.2.0", "nmr-correlation": "2.3.3", "nmr-processing": "^22.1.0", "numeral": "^2.0.6", - "openchemlib": "^9.18.2", - "openchemlib-utils": "^8.9.0", + "openchemlib": "^9.19.0", + "openchemlib-utils": "^8.12.1", "papaparse": "^5.5.3", "react-d3-utils": "^3.1.2", "react-dropzone": "^14.3.8", - "react-error-boundary": "^6.0.0", - "react-hook-form": "^7.68.0", + "react-error-boundary": "^6.1.0", + "react-hook-form": "^7.71.1", "react-icons": "^5.5.0", "react-inspector": "^9.0.0", "react-mf": "^3.1.1", - "react-ocl": "^8.4.0", + "react-ocl": "^8.5.0", "react-ocl-nmr": "^4.1.1", "react-plot": "^3.1.2", "react-rnd": "^10.5.2", @@ -11159,7 +11159,7 @@ "react-table": "^7.8.0", "smart-array-filter": "^5.0.0", "yup": "^1.7.1", - "zod": "^4.1.13" + "zod": "^4.3.5" }, "peerDependencies": { "@blueprintjs/core": "^6.0.0", @@ -12152,15 +12152,12 @@ } }, "node_modules/react-error-boundary": { - "version": "6.0.0", - "resolved": "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-6.0.0.tgz", - "integrity": "sha512-gdlJjD7NWr0IfkPlaREN2d9uUZUlksrfOx7SX62VRerwXbMY6ftGCIZua1VG1aXFNOimhISsTq+Owp725b9SiA==", + "version": "6.1.0", + "resolved": "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-6.1.0.tgz", + "integrity": "sha512-02k9WQ/mUhdbXir0tC1NiMesGzRPaCsJEWU/4bcFrbY1YMZOtHShtZP6zw0SJrBWA/31H0KT9/FgdL8+sPKgHA==", "license": "MIT", - "dependencies": { - "@babel/runtime": "^7.12.5" - }, "peerDependencies": { - "react": ">=16.13.1" + "react": "^18.0.0 || ^19.0.0" } }, "node_modules/react-fast-compare": { diff --git a/package.json b/package.json index 9f581db..07ee310 100644 --- a/package.json +++ b/package.json @@ -18,12 +18,12 @@ "@blueprintjs/select": "^6.0.14", "@emotion/styled": "^11.14.1", "@vitejs/plugin-react": "^5.1.2", - "@zakodium/nmrium-core": "^0.5.8", - "@zakodium/nmrium-core-plugins": "^0.6.27", + "@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": "^22.1.0", - "nmrium": "^1.10.1", + "nmr-processing": "^22.3.0", + "nmrium": "^1.11.0", "openchemlib": "^9.19.0", "react-science": "^19.5.0" }, diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index b2c4ac4..369cf2e 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -81,12 +81,12 @@ export default function NMRiumWrapper() { setData(loadData.data 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; } @@ -121,7 +121,7 @@ export default function NMRiumWrapper() { workspace={workspace} emptyText={defaultEmptyMessage} onError={(error) => { - events.trigger('error', error); + events.trigger('error', error as unknown as Error); }} customWorkspaces={customWorkspaces} /> diff --git a/src/demo/NMRiumWrapperDemo.tsx b/src/demo/NMRiumWrapperDemo.tsx index c484609..00388e3 100644 --- a/src/demo/NMRiumWrapperDemo.tsx +++ b/src/demo/NMRiumWrapperDemo.tsx @@ -51,6 +51,7 @@ export default function NMRiumWrapperDemo() { // 'https://cloud.uni-jena.de/s/jsMed9fmqWZzo6r/download/53.zip', ], type: 'url', + activeTab: '13C', }); }} > diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index 5fc07df..e4eb246 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -108,10 +108,7 @@ export function useLoadSpectra(): UseLoadSpectraResult { return useMemo(() => { let view: DeepPartial = {}; - if (activeTab) { - view = { spectra: { activeTab } }; - } - + view = { spectra: { activeTab } }; return { data: { version: CURRENT_EXPORT_VERSION, data, view }, load, diff --git a/yarn.lock b/yarn.lock index e4f02a8..768c7c7 100644 --- a/yarn.lock +++ b/yarn.lock @@ -1787,7 +1787,7 @@ resolved "https://registry.npmjs.org/@tanstack/pacer-lite/-/pacer-lite-0.1.1.tgz" integrity sha512-y/xtNPNt/YeyoVxE/JCx+T7yjEzpezmbb+toK8DDD1P4m7Kzs5YR956+7OKexG3f8aXgC3rLZl7b1V+yNUSy5w== -"@tanstack/react-form@^1.27.3", "@tanstack/react-form@^1.27.7": +"@tanstack/react-form@^1.27.7": version "1.27.7" resolved "https://registry.npmjs.org/@tanstack/react-form/-/react-form-1.27.7.tgz" integrity sha512-xTg4qrUY0fuLaSnkATLZcK3BWlnwLp7IuAb6UTbZKngiDEvvDCNTvVvHgPlgef1O2qN4klZxInRyRY6oEkXZ2A== @@ -2145,13 +2145,13 @@ ml-signal-processing "^2.1.0" ml-spectra-processing "^14.18.1" -"@zakodium/nmrium-core-plugins@^0.6.21", "@zakodium/nmrium-core-plugins@^0.6.27": - version "0.6.27" - resolved "https://registry.npmjs.org/@zakodium/nmrium-core-plugins/-/nmrium-core-plugins-0.6.27.tgz" - integrity sha512-2DXRnxa9Os5Kk5vfak7nmeaebv53Jod5SXqOaFjnrwv8J5+dkWtqOyXCvc+6MRVt4fflJ/AsMMLu+D+qPhjD4Q== +"@zakodium/nmrium-core-plugins@^0.6.29", "@zakodium/nmrium-core-plugins@^0.6.32": + version "0.6.32" + resolved "https://registry.npmjs.org/@zakodium/nmrium-core-plugins/-/nmrium-core-plugins-0.6.32.tgz" + integrity sha512-HddAXr2hZDy5LvRFtUziK2TGH0tHuKI+9AwAX6hJOVznhT+nbqnuVaL24BnCDiwJAD8dnykC4nV3+mCxHQIOZA== dependencies: "@date-fns/utc" "^2.1.1" - "@zakodium/nmrium-core" "^0.5.8" + "@zakodium/nmrium-core" "^0.6.1" cheminfo-types "^1.8.1" convert-to-jcamp "^6.0.0" date-fns "^4.1.0" @@ -2162,15 +2162,15 @@ linear-sum-assignment "^1.0.9" lodash.merge "^4.6.2" ml-spectra-processing "^14.18.2" - nmr-processing "^22.1.0" - openchemlib "^9.18.2" - openchemlib-utils "^8.8.1" + nmr-processing "^22.3.0" + openchemlib "^9.19.0" + openchemlib-utils "^8.12.1" sdf-parser "^7.0.4" -"@zakodium/nmrium-core@^0.5.2", "@zakodium/nmrium-core@^0.5.8": - version "0.5.8" - resolved "https://registry.npmjs.org/@zakodium/nmrium-core/-/nmrium-core-0.5.8.tgz" - integrity sha512-IjBtyMgqJMUiHrtwnWcYo2cX2vFA4EFIMmwpAzrIAIULe4ScVN+Kznewxt8lvtD8RjNQRxHt8QS7B3CXcMAqDw== +"@zakodium/nmrium-core@^0.6.0", "@zakodium/nmrium-core@^0.6.1": + version "0.6.1" + resolved "https://registry.npmjs.org/@zakodium/nmrium-core/-/nmrium-core-0.6.1.tgz" + integrity sha512-Rx4sLDBPdwrC4rr/nNuf+ef4No1rAfBCWwuh7C/cN8l78M4HzSLnJW/vMS3OpPMpfzb89z1bX9J2nUh2gxSusg== dependencies: cheminfo-types "^1.8.1" fifo-logger "^2.0.1" @@ -2194,7 +2194,7 @@ resolved "https://registry.npmjs.org/@zeit/schemas/-/schemas-2.36.0.tgz" integrity sha512-7kjMwcChYEzMKjeex9ZFXkt1AyNov9R5HZtjBKVsmVpw7pa7ZtlCGvCBC2vnnXctaYN+aRI61HjIqeetZW5ROg== -"@zip.js/zip.js@^2.8.11", "@zip.js/zip.js@^2.8.8": +"@zip.js/zip.js@^2.8.15", "@zip.js/zip.js@^2.8.8": version "2.8.15" resolved "https://registry.npmjs.org/@zip.js/zip.js/-/zip.js-2.8.15.tgz" integrity sha512-HZKJLFe4eGVgCe9J87PnijY7T1Zn638bEHS+Fm/ygHZozRpefzWcOYfPaP52S8pqk9g4xN3+LzMDl3Lv9dLglA== @@ -3754,10 +3754,10 @@ esutils@^2.0.2: resolved "https://registry.npmjs.org/esutils/-/esutils-2.0.3.tgz" integrity sha512-kVscqXk4OCp68SZ0dkgEKVi6/8ij300KBWTJq32P/dYeWTSwK41WyTxalN1eRmA5Z9UU/LX9D7FWSmV9SAYx6g== -eventemitter3@^5.0.1: - version "5.0.1" - resolved "https://registry.npmjs.org/eventemitter3/-/eventemitter3-5.0.1.tgz" - integrity sha512-GWkBvjiSZK87ELrYOSESUYeVIc9mvLLf/nXalMOS5dYrgZq9o5OVkbZAVM06CVxYsCwH9BDZFPlQTlPA1j4ahA== +eventemitter3@^5.0.4: + version "5.0.4" + resolved "https://registry.npmjs.org/eventemitter3/-/eventemitter3-5.0.4.tgz" + integrity sha512-mlsTRyGaPBjPedk6Bvw+aqbsXDtoAyAzm5MO7JgU+yVRyMQ5O8bD4Kcci7BS85f93veegeCPkL8R4GLClnjLFw== execa@^5.1.1: version "5.1.1" @@ -3835,7 +3835,7 @@ fft.js@^4.0.3, fft.js@^4.0.4: dependencies: typescript-event-target "^1.1.1" -file-collection@^6.5.0, file-collection@^6.6.0: +file-collection@^6.6.0: version "6.6.0" resolved "https://registry.npmjs.org/file-collection/-/file-collection-6.6.0.tgz" integrity sha512-QO1CaaSoqslwib8atFXiavl7OXQMf8JzlRmsDWg1rCWwdFjmzZDnpfkvrrS32XL4Q47Z8fKXOr21r2SMTt/EBQ== @@ -4025,7 +4025,7 @@ get-intrinsic@^1.2.4, get-intrinsic@^1.2.5, get-intrinsic@^1.2.6, get-intrinsic@ hasown "^2.0.2" math-intrinsics "^1.1.0" -get-jpaths@^1.1.0: +get-jpaths@^1.4.0: version "1.4.0" resolved "https://registry.npmjs.org/get-jpaths/-/get-jpaths-1.4.0.tgz" integrity sha512-Jj/dPGLUS49WgRgq5g+N3eQIJCqj4HlAGpUzi85mXLvGZ1VU3ODg/jXVkoAcxakoME1L6eefZrHKxmMo9P9OOg== @@ -4265,7 +4265,7 @@ immediate@~3.0.5: resolved "https://registry.npmjs.org/immediate/-/immediate-3.0.6.tgz" integrity sha512-XXOFtyqDjNDAQxVfYxuF7g9Il/IbWmmlQg2MYKOH8ExIT1qg6xc4zyS3HaEEATgs1btfzxq15ciUiY7gjSXRGQ== -immer@^11.0.0, immer@^11.0.1: +immer@^11.0.0, immer@^11.1.3: version "11.1.3" resolved "https://registry.npmjs.org/immer/-/immer-11.1.3.tgz" integrity sha512-6jQTc5z0KJFtr1UgFpIL3N9XSC3saRaI9PwWtzM2pSqkNGtiNkYY2OSwkOGDK2XcTRcLb1pi/aNkKZz0nxVH4Q== @@ -5222,10 +5222,10 @@ lodash.sortby@^4.7.0: resolved "https://registry.npmjs.org/lodash.sortby/-/lodash.sortby-4.7.0.tgz" integrity sha512-HDWXG8isMntAyRF5vZ7xKuEvOhT4AhlRt/3czTSjvGUxjYCBVRQY48ViDHyfYz9VIoBkW4TMGQNapx+l3RUwdA== -lodash@^4.17.20, lodash@^4.17.21: - version "4.17.21" - resolved "https://registry.npmjs.org/lodash/-/lodash-4.17.21.tgz" - integrity sha512-v2kDEe57lecTulaDIuNTPy3Ry4gLGJ6Z1O3vE1krgXZNrsQ+LFTGHVxVjcXPs17LhbZVGedAJv8XZ1tvj5FvSg== +lodash@^4.17.20, lodash@^4.17.21, lodash@^4.17.23: + version "4.17.23" + resolved "https://registry.npmjs.org/lodash/-/lodash-4.17.23.tgz" + integrity sha512-LgVTMpQtIopCi79SJeDiP0TfWi5CNEc/L/aRdTh3yIvmZXTnheWpKjSZhnvMl8iXbC1tFg9gdHHDMLoV7CnG+w== loose-envify@^1.0.0, loose-envify@^1.1.0, loose-envify@^1.4.0: version "1.4.0" @@ -5495,7 +5495,7 @@ ml-floyd-warshall@^3.0.1: dependencies: ml-matrix "^6.10.4" -ml-gsd@^13.0.1, ml-gsd@^13.1.1: +ml-gsd@^13.1.1: version "13.1.1" resolved "https://registry.npmjs.org/ml-gsd/-/ml-gsd-13.1.1.tgz" integrity sha512-3i9Y77LQIEENrzyV6C+hP4UBNoEZ7sIuazvKQxeu6sl5cKiJWaTacKL8q6H5SjaY1+vPcD53U+Y9PLAJk4wriw== @@ -5625,16 +5625,16 @@ ml-savitzky-golay-generalized@^4.2.0: cheminfo-types "^1.7.3" is-any-array "^2.0.1" -ml-signal-processing@^2.1.0: - version "2.1.0" - resolved "https://registry.npmjs.org/ml-signal-processing/-/ml-signal-processing-2.1.0.tgz" - integrity sha512-FgZKMMgslSnnT+WKpKwJrInKs0xYmCZb+pz/1Bcr8ks6KQrdNA2xI9jjkr74O5ZSA9RVGjGWt7gG2Ra8UhtrIw== +ml-signal-processing@^2.1.0, ml-signal-processing@^2.2.0: + version "2.2.0" + resolved "https://registry.npmjs.org/ml-signal-processing/-/ml-signal-processing-2.2.0.tgz" + integrity sha512-CsUCPuqRFddU8lTCxwCmbXSRy8T/h6AbLWSoyz7ojq2tlPinQXpmj5UStbnMpbkjXRQztWdSLCTfgiASMuXX9A== dependencies: baselines "^1.1.9" - cheminfo-types "^1.8.1" - ml-gsd "^13.0.1" + cheminfo-types "^1.10.0" + ml-gsd "^13.1.1" ml-savitzky-golay-generalized "^4.2.0" - ml-spectra-processing "^14.17.1" + ml-spectra-processing "^14.19.0" ml-simple-clustering@^1.0.0: version "1.0.0" @@ -5659,7 +5659,7 @@ ml-spectra-fitting@^5.0.1: ml-peak-shape-generator "^4.1.4" ml-spectra-processing "^14.2.0" -ml-spectra-processing@^14.10.0, ml-spectra-processing@^14.12.0, ml-spectra-processing@^14.17.1, ml-spectra-processing@^14.18.0, ml-spectra-processing@^14.18.1, ml-spectra-processing@^14.18.2, ml-spectra-processing@^14.2.0, ml-spectra-processing@^14.2.2, ml-spectra-processing@^14.5.0, ml-spectra-processing@^14.7.0: +ml-spectra-processing@^14.10.0, ml-spectra-processing@^14.12.0, ml-spectra-processing@^14.18.0, ml-spectra-processing@^14.18.1, ml-spectra-processing@^14.18.2, ml-spectra-processing@^14.19.0, ml-spectra-processing@^14.2.0, ml-spectra-processing@^14.2.2, ml-spectra-processing@^14.5.0, ml-spectra-processing@^14.7.0: version "14.19.0" resolved "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-14.19.0.tgz" integrity sha512-PbvRh/cFneCDY629qpURsaq58oz0pF+TM8w5lLtvAVfZmA6QOHEf5eh93n73HXS7HgkAzLJNXnKefCW8kSBmKQ== @@ -5762,10 +5762,10 @@ nmr-correlation@2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-processing@^22.1.0: - version "22.1.0" - resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.1.0.tgz" - integrity sha512-l/IFlmY6akhsIolRMMWnG4Mpp7KMqwidZJR7NEWNkySmKYI8NhVMNBiCbc3e3QSu4yVyhl0hEU7ToHobpDgpPg== +nmr-processing@^22.1.0, nmr-processing@^22.3.0: + version "22.3.0" + resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.3.0.tgz" + integrity sha512-TNNRfzFxqAoD79eYBM7mIRH5Hseq0U44WSub2XwundvGYkdNQG33XrKZa5ry84+y2yoXN7YsKbC565Puzlc6YQ== dependencies: binary-search "^1.3.6" d3-color "3.1.0" @@ -5800,58 +5800,58 @@ nmr-processing@^22.1.0: openchemlib-utils "^8.8.1" spectrum-generator "^8.1.1" -nmrium@^1.10.1: - version "1.10.1" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-1.10.1.tgz" - integrity sha512-UOifallNmrZHKU4JW8LCHz7H6WlrL7iMVgvvFQ2hDO7L66gOqMnv/EHCJnrbL+eFt0cr26OXXcQho8r5l0kPpw== +nmrium@^1.11.0: + version "1.11.0" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-1.11.0.tgz" + integrity sha512-gojBrTtg8Gs0K6zrjwTnFtQ0yIh4LkmphVYbP2arEcrEOQSAhpH5i6Z7/2xZbHStYmd5gHkvoXLgikX2XqCn5w== dependencies: "@atlaskit/pragmatic-drag-and-drop" "^1.7.7" "@atlaskit/pragmatic-drag-and-drop-hitbox" "^1.1.0" "@emotion/react" "^11.14.0" "@emotion/styled" "^11.14.1" "@hookform/resolvers" "^5.2.2" - "@tanstack/react-form" "^1.27.3" + "@tanstack/react-form" "^1.27.7" "@zakodium/nmr-types" "^0.5.0" - "@zakodium/nmrium-core" "^0.5.2" - "@zakodium/nmrium-core-plugins" "^0.6.21" + "@zakodium/nmrium-core" "^0.6.0" + "@zakodium/nmrium-core-plugins" "^0.6.29" "@zakodium/pdnd-esm" "^1.0.2" - "@zip.js/zip.js" "^2.8.11" + "@zip.js/zip.js" "^2.8.15" cheminfo-font "^1.13.1" - cheminfo-types "^1.8.1" + cheminfo-types "^1.10.0" clipboard-polyfill "^4.1.1" d3-array "^3.2.4" d3-scale "^4.0.2" d3-zoom "^3.0.0" dlv "^1.1.3" - eventemitter3 "^5.0.1" + eventemitter3 "^5.0.4" fifo-logger "^2.0.1" - file-collection "^6.5.0" + file-collection "^6.6.0" file-saver "^2.0.5" - get-jpaths "^1.1.0" - immer "^11.0.1" - lodash "^4.17.21" + get-jpaths "^1.4.0" + immer "^11.1.3" + lodash "^4.17.23" mf-parser "^3.6.0" ml-array-mean "^1.1.6" ml-array-median "^1.1.6" ml-conrec "^5.0.3" ml-gsd "^13.1.1" - ml-signal-processing "^2.1.0" - ml-spectra-processing "^14.18.2" + ml-signal-processing "^2.2.0" + ml-spectra-processing "^14.19.0" ml-tree-similarity "^2.2.0" nmr-correlation "2.3.3" nmr-processing "^22.1.0" numeral "^2.0.6" - openchemlib "^9.18.2" - openchemlib-utils "^8.9.0" + openchemlib "^9.19.0" + openchemlib-utils "^8.12.1" papaparse "^5.5.3" react-d3-utils "^3.1.2" react-dropzone "^14.3.8" - react-error-boundary "^6.0.0" - react-hook-form "^7.68.0" + react-error-boundary "^6.1.0" + react-hook-form "^7.71.1" react-icons "^5.5.0" react-inspector "^9.0.0" react-mf "^3.1.1" - react-ocl "^8.4.0" + react-ocl "^8.5.0" react-ocl-nmr "^4.1.1" react-plot "^3.1.2" react-rnd "^10.5.2" @@ -5859,7 +5859,7 @@ nmrium@^1.10.1: react-table "^7.8.0" smart-array-filter "^5.0.0" yup "^1.7.1" - zod "^4.1.13" + zod "^4.3.5" no-case@^3.0.4: version "3.0.4" @@ -5996,7 +5996,7 @@ onetime@^5.1.2: dependencies: mimic-fn "^2.1.0" -openchemlib-utils@^8.1.1, openchemlib-utils@^8.8.1, openchemlib-utils@^8.9.0: +openchemlib-utils@^8.1.1, openchemlib-utils@^8.12.1, openchemlib-utils@^8.8.1: version "8.12.1" resolved "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-8.12.1.tgz" integrity sha512-aQbEzLxunuRqwEVw6I98J9NL+Mxo3uASLbFjhsFe4ZuJZWN7G+s8tgmXO43+9kaNNeD8lAjcG6+EHNhwX+TV3w== @@ -6380,12 +6380,10 @@ react-dropzone@^14.3.8: file-selector "^2.1.0" prop-types "^15.8.1" -react-error-boundary@^6.0.0: - version "6.0.0" - resolved "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-6.0.0.tgz" - integrity sha512-gdlJjD7NWr0IfkPlaREN2d9uUZUlksrfOx7SX62VRerwXbMY6ftGCIZua1VG1aXFNOimhISsTq+Owp725b9SiA== - dependencies: - "@babel/runtime" "^7.12.5" +react-error-boundary@^6.1.0: + version "6.1.0" + resolved "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-6.1.0.tgz" + integrity sha512-02k9WQ/mUhdbXir0tC1NiMesGzRPaCsJEWU/4bcFrbY1YMZOtHShtZP6zw0SJrBWA/31H0KT9/FgdL8+sPKgHA== react-fast-compare@^3.0.1: version "3.2.2" @@ -6399,7 +6397,7 @@ react-full-screen@^1.1.1: dependencies: fscreen "^1.0.2" -react-hook-form@^7.55.0, react-hook-form@^7.68.0: +react-hook-form@^7.55.0, react-hook-form@^7.71.1: version "7.71.1" resolved "https://registry.npmjs.org/react-hook-form/-/react-hook-form-7.71.1.tgz" integrity sha512-9SUJKCGKo8HUSsCO+y0CtqkqI5nNuaDqTxyqPsZPqIwudpj4rCrAz/jZV+jn57bx5gtZKOh3neQu94DXMc+w5w== @@ -6440,7 +6438,7 @@ react-ocl-nmr@^4.1.1: openchemlib-utils "^8.1.1" react-ocl "^8.2.0" -react-ocl@^8.2.0, react-ocl@^8.4.0: +react-ocl@^8.2.0, react-ocl@^8.5.0: version "8.5.0" resolved "https://registry.npmjs.org/react-ocl/-/react-ocl-8.5.0.tgz" integrity sha512-IOgPuJCcGs36iiiWjVz1EuHzutlmFQak7H+YXEy0cjEodZeL7HWAqrjWzd1/uyKIpDL+Hkqzk8RNVyWt2j18xg== @@ -6536,7 +6534,7 @@ react-transition-group@^4.4.5: loose-envify "^1.4.0" prop-types "^15.6.2" -react@*, "react@^16.13.1 || ^17.0.0 || ^18.0.0 || ^19.0.0", "react@^16.8 || ^17.0 || ^18.0 || ^19.0 || ^19.0.0-rc", "react@^16.8.0 || ^17 || ^18", "react@^16.8.0 || ^17 || ^18 || ^19", "react@^16.8.0 || ^17.0.0 || ^18.0.0 || ^19.0.0", "react@^16.8.3 || ^17.0.0-0 || ^18.0.0", "react@^17.0.0 || ^18.0.0 || ^19.0.0", "react@^18.0.0 || ^19.0.0", react@^18.3.1, "react@>= 16.3.0", "react@>= 16.8 || 18.0.0", "react@>= 16.8.0", react@>=16, react@>=16.13.1, react@>=16.3.0, react@>=16.6.0, react@>=16.8, react@>=16.8.0, react@>=18, react@>=18.0.0, react@18: +react@*, "react@^16.13.1 || ^17.0.0 || ^18.0.0 || ^19.0.0", "react@^16.8 || ^17.0 || ^18.0 || ^19.0 || ^19.0.0-rc", "react@^16.8.0 || ^17 || ^18", "react@^16.8.0 || ^17 || ^18 || ^19", "react@^16.8.0 || ^17.0.0 || ^18.0.0 || ^19.0.0", "react@^16.8.3 || ^17.0.0-0 || ^18.0.0", "react@^17.0.0 || ^18.0.0 || ^19.0.0", "react@^18.0.0 || ^19.0.0", react@^18.3.1, "react@>= 16.3.0", "react@>= 16.8 || 18.0.0", "react@>= 16.8.0", react@>=16, react@>=16.3.0, react@>=16.6.0, react@>=16.8, react@>=16.8.0, react@>=18, react@>=18.0.0, react@18: version "18.3.1" resolved "https://registry.npmjs.org/react/-/react-18.3.1.tgz" integrity sha512-wS+hAgJShR0KhEvPJArfuPVN1+Hz1t0Y6n5jLrGQbkb4urgPE/0Rve+1kMB1v/oWgHgm4WIcV+i7F2pTVj+2iQ== @@ -8001,7 +7999,7 @@ yup@^1.7.1: resolved "https://registry.npmjs.org/zod-validation-error/-/zod-validation-error-4.0.2.tgz" integrity sha512-Q6/nZLe6jxuU80qb/4uJ4t5v2VEZ44lzQjPDhYJNztRQ4wyWc6VF3D3Kb/fAuPetZQnhS3hnajCf9CsWesghLQ== -"zod@^3.25.0 || ^4.0.0", zod@^4.1.13, zod@^4.3.5: +"zod@^3.25.0 || ^4.0.0", zod@^4.3.5: version "4.3.5" resolved "https://registry.npmjs.org/zod/-/zod-4.3.5.tgz" integrity sha512-k7Nwx6vuWx1IJ9Bjuf4Zt1PEllcwe7cls3VNzm4CQ1/hgtFUK2bRNG3rvnpPUhFjmqJKAKtjV576KnUkHocg/g== From ddb79b5c43b5039dc0ccad8d7b8ff036e025ab76 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 29 Jan 2026 12:10:00 +0100 Subject: [PATCH 12/28] chore: add more test cases --- playwright.config.ts | 5 ++++ test-e2e/NmriumWrapperPage.ts | 26 +++++++++++++++++++ test-e2e/core.test.ts | 46 +++++++++++++++++++-------------- test-e2e/data/Triplinine.nmrium | 2 ++ test-e2e/data/test-data.nmrium | 1 + 5 files changed, 60 insertions(+), 20 deletions(-) create mode 100644 test-e2e/data/Triplinine.nmrium create mode 100644 test-e2e/data/test-data.nmrium diff --git a/playwright.config.ts b/playwright.config.ts index 3885a9c..f1f5cd5 100644 --- a/playwright.config.ts +++ b/playwright.config.ts @@ -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, @@ -21,6 +25,7 @@ const config: PlaywrightTestConfig = { strictSelectors: true, }, }, + webServer: { command: 'npm run test-e2e-server', port: 3000, diff --git a/test-e2e/NmriumWrapperPage.ts b/test-e2e/NmriumWrapperPage.ts index 0f25de1..1b30617 100644 --- a/test-e2e/NmriumWrapperPage.ts +++ b/test-e2e/NmriumWrapperPage.ts @@ -1,4 +1,5 @@ import type { Page } from '@playwright/test'; +import { expect } from '@playwright/test'; export default class NmriumPage { public readonly page: Page; @@ -11,4 +12,29 @@ export default class NmriumPage { await page.goto('http://localhost:3000/#/demo'); return new NmriumPage(page); } + + public async checkSpectraTabsIsVisible(tabs: string[]) { + const promises: Array> = []; + for (const tab of tabs) { + promises.push(expect(this.page.locator('.tab-list-item').getByText(tab, { exact: true })).toBeVisible()); + } + + await Promise.all(promises); + + } + + public async dropFile(file: string | string[]) { + const filenames: string[] = []; + + if (typeof file === 'string') { + filenames.push(file); + } else { + filenames.push(...file); + } + + await this.page + .locator('input[type=file]') + .setInputFiles(filenames.map((f) => `test-e2e/data/${f}`)); + } + } diff --git a/test-e2e/core.test.ts b/test-e2e/core.test.ts index f4d6f44..a7e3b5f 100644 --- a/test-e2e/core.test.ts +++ b/test-e2e/core.test.ts @@ -27,12 +27,8 @@ test('should load NMRium from external Urls', async ({ page }) => { // if loaded successfully, there should be a 1H and 13C tabs await test.step('spectra should be loaded', async () => { - await expect( - nmrium.page.locator('.tab-list-item >> text=1H'), - ).toBeVisible(); - await expect( - nmrium.page.locator('.tab-list-item >> text=13C'), - ).toBeVisible(); + await nmrium.checkSpectraTabsIsVisible(['1H', '13C']) + }); // await test.step('Molecule structure should be loaded', async () => { @@ -46,15 +42,9 @@ test('should load NMRium from Files', async ({ page }) => { // if loaded successfully, there should be a 1H and 13C tabs await test.step('spectra should be loaded', async () => { - await expect( - page.locator('.tab-list-item').getByText('13C', { exact: true }), - ).toBeVisible(); - await expect( - page.locator('.tab-list-item').getByText('1H,1H', { exact: true }), - ).toBeVisible(); - await expect( - page.locator('.tab-list-item').getByText('1H,13C', { exact: true }), - ).toBeVisible(); + + await nmrium.checkSpectraTabsIsVisible(['13C', '1H,1H', '1H,13C']) + }); await test.step('Molecule structure should be loaded', async () => { @@ -78,7 +68,8 @@ test('should load NMRium from URL without .zip extension in the path', async ({ await nmrium.page.click('text=Test Load URL without extension'); // if loaded successfully, there should be a 1H - await expect(nmrium.page.locator('.tab-list-item >> text=1H')).toBeVisible(); + await nmrium.checkSpectraTabsIsVisible(['1H']) + }); @@ -108,10 +99,25 @@ test("Should trigger error action and load the other one that parses successfull // the error event is triggered expect(hasError).toBeTruthy(); + await nmrium.checkSpectraTabsIsVisible(['1H', '13C']) +}); - // load a 1H spectrum successfully - await expect(nmrium.page.locator('.tab-list-item >> text=1H')).toBeVisible(); - // load a 13C spectrum successfully - await expect(nmrium.page.locator('.tab-list-item >> text=13C')).toBeVisible(); + +test('should load Triplinine.nmrium file', async ({ + page, +}) => { + const nmrium = await NmriumWrapperPage.create(page); + await nmrium.dropFile('Triplinine.nmrium'); + + await nmrium.checkSpectraTabsIsVisible(['1H', '1H,1H', '1H,13C']) +}); + +test('should load test-data.nmrium file', async ({ + page, +}) => { + const nmrium = await NmriumWrapperPage.create(page); + await nmrium.dropFile('test-data.nmrium'); + + await nmrium.checkSpectraTabsIsVisible(['1H', '13C', '1H,1H', '1H,13C']) }); diff --git a/test-e2e/data/Triplinine.nmrium b/test-e2e/data/Triplinine.nmrium new file mode 100644 index 0000000..8b1adf2 --- /dev/null +++ b/test-e2e/data/Triplinine.nmrium @@ -0,0 +1,2 @@ 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\ No newline at end of file From bb243c74ed9e4aa58247b91b8e924e0e5ed6a273 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 29 Jan 2026 12:51:38 +0100 Subject: [PATCH 13/28] fix: load data --- src/NMRiumWrapper.tsx | 6 +++--- src/hooks/useLoadSpectra.ts | 36 +++++++++++++++++++++--------------- 2 files changed, 24 insertions(+), 18 deletions(-) diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index 369cf2e..c4ad11c 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -6,6 +6,7 @@ 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'; @@ -78,7 +79,7 @@ export default function NMRiumWrapper() { (loadData) => { switch (loadData.type) { case 'nmrium': - setData(loadData.data as NmriumData); + setData(loadData.data as unknown as NMRiumData); break; case 'file': { const { data: files, activeTab = '' } = loadData; @@ -105,7 +106,6 @@ export default function NMRiumWrapper() { clearActionListener(); }; }); - return ( {isFetchAllowedOriginsPending && ( @@ -121,7 +121,7 @@ export default function NMRiumWrapper() { workspace={workspace} emptyText={defaultEmptyMessage} onError={(error) => { - events.trigger('error', error as unknown as Error); + events.trigger('error', error as Error); }} customWorkspaces={customWorkspaces} /> diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index e4eb246..7b6ddec 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -1,12 +1,9 @@ -import type { - NmriumData, - 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'; @@ -43,9 +40,9 @@ const PARSING_OPTIONS: Partial = { 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[]) { @@ -60,23 +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 LoadOptions = | { urls: string[]; activeTab?: string } | { files: File[]; activeTab?: string }; +export type NMRiumData = Pick; + interface UseLoadSpectraResult { - data: { version: number; data: NmriumData }; + data: NMRiumData; load: (options: LoadOptions) => void; - setData: (data: NmriumData) => void; + setData: (data: NMRiumData) => void; isLoading: boolean; } export function useLoadSpectra(): UseLoadSpectraResult { - const [data, setData] = useState({ spectra: [], molecules: [] }); + const [data, setData] = useState({ + data: { spectra: [], molecules: [] }, + version: CURRENT_EXPORT_VERSION, + }); const [activeTab, setActiveTab] = useState(); const [isLoading, setLoading] = useState(false); @@ -86,14 +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) { @@ -109,8 +114,9 @@ export function useLoadSpectra(): UseLoadSpectraResult { return useMemo(() => { let view: DeepPartial = {}; 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, From 0bca68858c9e8d10223052d5144ab3a9187b7d45 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 19 Feb 2026 13:42:03 +0100 Subject: [PATCH 14/28] chore: update dependencies --- package-lock.json | 305 ++++++++++++++++++++++++++------------------ package.json | 14 +-- yarn.lock | 312 ++++++++++++++++++++++++++-------------------- 3 files changed, 372 insertions(+), 259 deletions(-) diff --git a/package-lock.json b/package-lock.json index e770a18..b0ab834 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,11 +9,11 @@ "version": "1.0.0", "license": "MIT", "dependencies": { - "@blueprintjs/core": "^6.7.0", - "@blueprintjs/icons": "^6.5.1", - "@blueprintjs/select": "^6.0.14", + "@blueprintjs/core": "^6.8.0", + "@blueprintjs/icons": "^6.5.2", + "@blueprintjs/select": "^6.1.0", "@emotion/styled": "^11.14.1", - "@vitejs/plugin-react": "^5.1.2", + "@vitejs/plugin-react": "^5.1.4", "@zakodium/nmrium-core": "^0.6.1", "@zakodium/nmrium-core-plugins": "^0.6.32", "fifo-logger": "^2.0.1", @@ -21,16 +21,16 @@ "nmr-processing": "^22.3.0", "nmrium": "^1.11.0", "openchemlib": "^9.19.0", - 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cheminfo-types "^1.8.1" + cheminfo-types "^1.10.0" dynamic-typing "^1.0.1" - ensure-string "^1.2.0" + ensure-string "^2.0.0" gyromagnetic-ratio "^2.0.0" ml-array-median "^1.1.6" - openchemlib "^9.18.2" + openchemlib "^9.20.0" jest-changed-files@30.2.0: version "30.2.0" @@ -5657,7 +5664,7 @@ ml-savitzky-golay-generalized@^4.2.0: cheminfo-types "^1.7.3" is-any-array "^2.0.1" -ml-signal-processing@^2.1.0, ml-signal-processing@^2.2.0: +ml-signal-processing@^2.2.0: version "2.2.0" resolved "https://registry.npmjs.org/ml-signal-processing/-/ml-signal-processing-2.2.0.tgz" integrity sha512-CsUCPuqRFddU8lTCxwCmbXSRy8T/h6AbLWSoyz7ojq2tlPinQXpmj5UStbnMpbkjXRQztWdSLCTfgiASMuXX9A== @@ -5691,7 +5698,7 @@ ml-spectra-fitting@^5.0.1: ml-peak-shape-generator "^4.1.4" ml-spectra-processing "^14.2.0" -ml-spectra-processing@^14.10.0, ml-spectra-processing@^14.12.0, ml-spectra-processing@^14.18.0, ml-spectra-processing@^14.18.1, ml-spectra-processing@^14.18.2, ml-spectra-processing@^14.19.0, ml-spectra-processing@^14.2.0, ml-spectra-processing@^14.2.2, ml-spectra-processing@^14.5.0, ml-spectra-processing@^14.7.0: +ml-spectra-processing@^14.10.0, ml-spectra-processing@^14.12.0, ml-spectra-processing@^14.18.0, ml-spectra-processing@^14.19.0, ml-spectra-processing@^14.2.0, ml-spectra-processing@^14.2.2, ml-spectra-processing@^14.5.0, ml-spectra-processing@^14.7.0: version "14.19.0" resolved "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-14.19.0.tgz" integrity sha512-PbvRh/cFneCDY629qpURsaq58oz0pF+TM8w5lLtvAVfZmA6QOHEf5eh93n73HXS7HgkAzLJNXnKefCW8kSBmKQ== @@ -5794,10 +5801,10 @@ nmr-correlation@2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-processing@^22.1.0, nmr-processing@^22.3.0: - version "22.3.0" - resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.3.0.tgz" - integrity sha512-TNNRfzFxqAoD79eYBM7mIRH5Hseq0U44WSub2XwundvGYkdNQG33XrKZa5ry84+y2yoXN7YsKbC565Puzlc6YQ== +nmr-processing@^22.4.0, nmr-processing@^22.5.0: + version "22.5.0" + resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.5.0.tgz" + integrity sha512-/FLaMtROD1gwf8qqOfpynYNdtwRwqjSWzVtgcJvQekmHKFoALFwuxTV3Wj+LGmjCNWtAUauw/xb6fQ0DHAT0Tg== dependencies: binary-search "^1.3.6" d3-color "3.1.0" @@ -5820,34 +5827,34 @@ nmr-processing@^22.1.0, nmr-processing@^22.3.0: ml-regression-polynomial "^3.0.2" ml-regression-simple-linear "^3.0.1" ml-savitzky-golay-generalized "^4.2.0" - ml-signal-processing "^2.1.0" + ml-signal-processing "^2.2.0" ml-simple-clustering "^1.0.0" ml-sparse-matrix "^3.1.0" - ml-spectra-processing "^14.18.2" + ml-spectra-processing "^14.19.0" ml-tree-set "^1.0.1" multiplet-analysis "^2.1.5" nmr-correlation "^3.0.0" numeral "^2.0.6" - openchemlib "^9.18.2" - openchemlib-utils "^8.8.1" + openchemlib "^9.20.0" + openchemlib-utils "^8.12.1" spectrum-generator "^8.1.1" -nmrium@^1.11.0: - version "1.11.0" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-1.11.0.tgz" - integrity sha512-gojBrTtg8Gs0K6zrjwTnFtQ0yIh4LkmphVYbP2arEcrEOQSAhpH5i6Z7/2xZbHStYmd5gHkvoXLgikX2XqCn5w== +nmrium@^1.12.0: + version "1.12.0" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-1.12.0.tgz" + integrity sha512-5FH4LJFPoIodoMXBMQHKjj8ejuFjrOe4RZm8ePBMLqpjM9QZhbDnIp9rmkpu2gJyogpWXv6ig+H1dcuS/1o8sA== dependencies: "@atlaskit/pragmatic-drag-and-drop" "^1.7.7" "@atlaskit/pragmatic-drag-and-drop-hitbox" "^1.1.0" "@emotion/react" "^11.14.0" "@emotion/styled" "^11.14.1" "@hookform/resolvers" "^5.2.2" - "@tanstack/react-form" "^1.27.7" - "@zakodium/nmr-types" "^0.5.0" - "@zakodium/nmrium-core" "^0.6.0" - "@zakodium/nmrium-core-plugins" "^0.6.29" + "@tanstack/react-form" "^1.28.3" + "@zakodium/nmr-types" "^0.5.1" + "@zakodium/nmrium-core" "^0.6.5" + "@zakodium/nmrium-core-plugins" "^0.6.39" "@zakodium/pdnd-esm" "^1.0.2" - "@zip.js/zip.js" "^2.8.15" + "@zip.js/zip.js" "^2.8.20" cheminfo-font "^1.13.1" cheminfo-types "^1.10.0" clipboard-polyfill "^4.1.1" @@ -5860,7 +5867,7 @@ nmrium@^1.11.0: file-collection "^6.6.0" file-saver "^2.0.5" get-jpaths "^1.4.0" - immer "^11.1.3" + immer "^11.1.4" lodash "^4.17.23" mf-parser "^3.6.0" ml-array-mean "^1.1.6" @@ -5871,14 +5878,14 @@ nmrium@^1.11.0: ml-spectra-processing "^14.19.0" ml-tree-similarity "^2.2.0" nmr-correlation "2.3.3" - nmr-processing "^22.1.0" + nmr-processing "^22.4.0" numeral "^2.0.6" - openchemlib "^9.19.0" + openchemlib "^9.20.0" openchemlib-utils "^8.12.1" papaparse "^5.5.3" react-d3-utils "^3.1.2" - react-dropzone "^14.3.8" - react-error-boundary "^6.1.0" + react-dropzone "^15.0.0" + react-error-boundary "^6.1.1" react-hook-form "^7.71.1" react-icons "^5.5.0" react-inspector "^9.0.0" @@ -5887,11 +5894,11 @@ nmrium@^1.11.0: react-ocl-nmr "^4.1.1" react-plot "^3.1.2" react-rnd "^10.5.2" - react-science "^19.4.0" + react-science "^19.9.0" react-table "^7.8.0" smart-array-filter "^5.0.0" yup "^1.7.1" - zod "^4.3.5" + zod "^4.3.6" no-case@^3.0.4: version "3.0.4" @@ -6028,7 +6035,7 @@ onetime@^5.1.2: dependencies: mimic-fn "^2.1.0" -openchemlib-utils@^8.1.1, openchemlib-utils@^8.12.1, openchemlib-utils@^8.8.1: +openchemlib-utils@^8.1.1, openchemlib-utils@^8.12.1: version "8.12.1" resolved "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-8.12.1.tgz" integrity sha512-aQbEzLxunuRqwEVw6I98J9NL+Mxo3uASLbFjhsFe4ZuJZWN7G+s8tgmXO43+9kaNNeD8lAjcG6+EHNhwX+TV3w== @@ -6041,10 +6048,10 @@ openchemlib-utils@^8.1.1, openchemlib-utils@^8.12.1, openchemlib-utils@^8.8.1: papaparse "^5.5.3" sdf-parser "^7.0.4" -openchemlib@^9.1.1, openchemlib@^9.18.2, openchemlib@^9.19.0, openchemlib@>=8, openchemlib@>=9.12.0: - version "9.19.0" - resolved "https://registry.npmjs.org/openchemlib/-/openchemlib-9.19.0.tgz" - integrity sha512-rA/8tQ7SltRaAf4YfzBp447pnHd/+6aXEIX8JpBNF849fuzoHVuYN4inMOL5KKWgLWYqRLi+FnjfRZI0puYtog== +openchemlib@^9.1.1, openchemlib@^9.20.0, openchemlib@>=8, openchemlib@>=9.12.0: + version "9.20.0" + resolved "https://registry.npmjs.org/openchemlib/-/openchemlib-9.20.0.tgz" + integrity sha512-ttpQAiwUIjkn6SQrYc1KGy2IS5fP1OaARcafgaVjFykl4/aOqJgnxUtDoAjmFRei4WAUNVTkqVThlIskP36KxA== optionator@^0.9.3: version "0.9.3" @@ -6403,15 +6410,6 @@ react-draggable@4.4.6: clsx "^1.1.1" prop-types "^15.8.1" -react-dropzone@^14.3.8: - version "14.3.8" - resolved "https://registry.npmjs.org/react-dropzone/-/react-dropzone-14.3.8.tgz" - integrity sha512-sBgODnq+lcA4P296DY4wacOZz3JFpD99fp+hb//iBO2HHnyeZU3FwWyXJ6salNpqQdsZrgMrotuko/BdJMV8Ug== - dependencies: - attr-accept "^2.2.4" - file-selector "^2.1.0" - prop-types "^15.8.1" - react-dropzone@^15.0.0: version "15.0.0" resolved "https://registry.npmjs.org/react-dropzone/-/react-dropzone-15.0.0.tgz" @@ -6421,10 +6419,10 @@ react-dropzone@^15.0.0: file-selector "^2.1.0" prop-types "^15.8.1" -react-error-boundary@^6.1.0: - version "6.1.0" - resolved "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-6.1.0.tgz" - integrity sha512-02k9WQ/mUhdbXir0tC1NiMesGzRPaCsJEWU/4bcFrbY1YMZOtHShtZP6zw0SJrBWA/31H0KT9/FgdL8+sPKgHA== +react-error-boundary@^6.1.1: + version "6.1.1" + resolved "https://registry.npmjs.org/react-error-boundary/-/react-error-boundary-6.1.1.tgz" + integrity sha512-BrYwPOdXi5mqkk5lw+Uvt0ThHx32rCt3BkukS4X23A2AIWDPSGX6iaWTc0y9TU/mHDA/6qOSGel+B2ERkOvD1w== react-fast-compare@^3.0.1: version "3.2.2" @@ -6536,7 +6534,7 @@ react-router@7.13.0: cookie "^1.0.1" set-cookie-parser "^2.6.0" -react-science@^19.4.0, react-science@^19.9.1: +react-science@^19.9.0, react-science@^19.9.1: version "19.9.1" resolved "https://registry.npmjs.org/react-science/-/react-science-19.9.1.tgz" integrity sha512-5ykYCRov4+V21XDJS/pxhdlz9AFgNr8TLRtzCaQLUuOMewcyc0C1zDdcmyAYdcuIHq7qd90n8Q9RnpSUL3EWuw== @@ -8045,7 +8043,7 @@ yup@^1.7.1: resolved "https://registry.npmjs.org/zod-validation-error/-/zod-validation-error-4.0.2.tgz" integrity sha512-Q6/nZLe6jxuU80qb/4uJ4t5v2VEZ44lzQjPDhYJNztRQ4wyWc6VF3D3Kb/fAuPetZQnhS3hnajCf9CsWesghLQ== -"zod@^3.25.0 || ^4.0.0", zod@^4.3.5, zod@^4.3.6: +"zod@^3.25.0 || ^4.0.0", zod@^4.3.6: version "4.3.6" resolved "https://registry.npmjs.org/zod/-/zod-4.3.6.tgz" integrity sha512-rftlrkhHZOcjDwkGlnUtZZkvaPHCsDATp4pGpuOOMDaTdDDXF91wuVDJoWoPsKX/3YPQ5fHuF3STjcYyKr+Qhg== From db616e498eb11b01616b7a4ddfd559cc22f0e3bd Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 19 Feb 2026 14:05:52 +0100 Subject: [PATCH 16/28] test: update Triplinine test to use nmr-wrapper:load --- test-e2e/core.test.ts | 9 ++++++--- test-e2e/data/{Triplinine.nmrium => Triplinine.json} | 0 2 files changed, 6 insertions(+), 3 deletions(-) rename test-e2e/data/{Triplinine.nmrium => Triplinine.json} (100%) diff --git a/test-e2e/core.test.ts b/test-e2e/core.test.ts index a7e3b5f..59c4d79 100644 --- a/test-e2e/core.test.ts +++ b/test-e2e/core.test.ts @@ -1,6 +1,7 @@ import { expect, test } from '@playwright/test'; import NmriumWrapperPage from './NmriumWrapperPage.js'; +import triplinineData from './data/Triplinine.json' with { type: 'json' }; async function testLoadStructure(nmrium: NmriumWrapperPage) { // Open the "Chemical structures" panel. @@ -104,12 +105,14 @@ test("Should trigger error action and load the other one that parses successfull -test('should load Triplinine.nmrium file', async ({ +test('should load Triplinine.json file using nmr-wrapper:load', async ({ page, }) => { const nmrium = await NmriumWrapperPage.create(page); - await nmrium.dropFile('Triplinine.nmrium'); - + const stringObject = JSON.stringify(triplinineData); + await page.evaluate(` + window.postMessage({ type: "nmr-wrapper:load", data: { data: ${stringObject}, type: "nmrium" } }, '*'); + `); await nmrium.checkSpectraTabsIsVisible(['1H', '1H,1H', '1H,13C']) }); diff --git a/test-e2e/data/Triplinine.nmrium b/test-e2e/data/Triplinine.json similarity index 100% rename from test-e2e/data/Triplinine.nmrium rename to test-e2e/data/Triplinine.json From fd824db27845d1a859a25581a58b45fc984d8da2 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 6 Mar 2026 08:53:12 +0100 Subject: [PATCH 17/28] chore: update dependencies --- package-lock.json | 146 +++++++++++++++++++++++----------------------- package.json | 14 ++--- yarn.lock | 106 ++++++++++++++++----------------- 3 files changed, 133 insertions(+), 133 deletions(-) diff --git a/package-lock.json b/package-lock.json index 5e59eef..bd4342d 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,9 +9,9 @@ "version": "1.0.0", "license": "MIT", "dependencies": { - "@blueprintjs/core": "^6.8.0", - "@blueprintjs/icons": "^6.5.2", - "@blueprintjs/select": "^6.1.0", + "@blueprintjs/core": "^6.9.1", + "@blueprintjs/icons": "^6.6.0", + "@blueprintjs/select": "^6.1.3", "@emotion/styled": "^11.14.1", "@vitejs/plugin-react": "^5.1.4", "@zakodium/nmrium-core": "^0.6.5", @@ -21,7 +21,7 @@ "nmr-processing": "^22.5.0", "nmrium": "^1.12.0", "openchemlib": "^9.20.0", - "react-science": "^19.9.1" + "react-science": "^19.10.1" }, "devDependencies": { "@babel/plugin-transform-modules-commonjs": "^7.28.6", @@ -30,7 +30,7 @@ "@playwright/test": "^1.58.2", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^30.0.0", - "@types/node": "^25.3.0", + "@types/node": "^25.3.5", "@types/react": "^18.3.3", "@types/react-dom": "^18.3.0", "@types/react-router-dom": "^5.3.3", @@ -42,8 +42,8 @@ "prettier": "3.8.1", "react": "^18.3.1", "react-dom": "^18.3.1", - "react-router-dom": "^7.13.0", - "serve": "^14.2.5", + "react-router-dom": "^7.13.1", + "serve": "^14.2.6", "typescript": "^5.9.3", "vite": "^7.3.1", "vite-plugin-pwa": "^1.2.0" @@ -2000,14 +2000,14 @@ } }, "node_modules/@blueprintjs/core": { - "version": "6.8.0", - "resolved": "https://registry.npmjs.org/@blueprintjs/core/-/core-6.8.0.tgz", - "integrity": "sha512-46PkgSz/txIy3gNdXm4RblMYAv7lhENAU5LXbXaqVdy0EQllQLaEDLj3LnqXmrQ9jpB4EV65xb/YBK+TO8C/Lw==", + "version": "6.9.1", + "resolved": "https://registry.npmjs.org/@blueprintjs/core/-/core-6.9.1.tgz", + "integrity": "sha512-RmkIpN6dGch7ZCT8dkmbK80JgcIqV4w19SmzJTot7QKm7fDRsi2hcusV/LOvn7WgZvS9Z8URzIp357jAN9Nv5A==", "license": "Apache-2.0", "peer": true, "dependencies": { "@blueprintjs/colors": "^5.1.14", - "@blueprintjs/icons": "^6.5.2", + "@blueprintjs/icons": "^6.6.0", "@floating-ui/react": "^0.27.13", "@popperjs/core": "^2.11.8", "classnames": "^2.3.1", @@ -2033,9 +2033,9 @@ } }, "node_modules/@blueprintjs/icons": { - "version": "6.5.2", - "resolved": "https://registry.npmjs.org/@blueprintjs/icons/-/icons-6.5.2.tgz", - "integrity": "sha512-nYLoDGhkEsmLicmnpnrJs0wDBTuhVhGZuKIzDNEnaNEUjO8q8X6YQUHr8yJdSg9x6Th7i8pMNvUKzBnK+KHihg==", + "version": "6.6.0", + "resolved": "https://registry.npmjs.org/@blueprintjs/icons/-/icons-6.6.0.tgz", + "integrity": "sha512-IaMTAAY554iqUCvfO9+okAnC/qprypQqkNOkBdAkID6lXud8PSyfJWdXneSBQnU/fHU1UA+7xILJ6Wr4wGoJGw==", "license": "Apache-2.0", "peer": true, "dependencies": { @@ -2055,15 +2055,15 @@ } }, "node_modules/@blueprintjs/select": { - 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Please update. Support for old versions may be purchased (at exorbitant rates) by contacting i@izs.me", "dev": true, "license": "ISC", "dependencies": { @@ -9569,9 +9566,9 @@ } }, "node_modules/jcampconverter": { - "version": "12.2.0", - "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-12.2.0.tgz", - "integrity": "sha512-gHEIRlIdz1n8NujQbyv4U8iCfS5go2gCRk+Z00fbtq1NMoPlwMmrUfW+VhE9rezqSlACe7roqMNIZOKV0JtBow==", + "version": "12.2.1", + "resolved": "https://registry.npmjs.org/jcampconverter/-/jcampconverter-12.2.1.tgz", + "integrity": "sha512-eskEMLdlOPMmaYBIEsHz0SS+OE92/8n+OEtRnv/nzmnDMydMv4zgpNH9wCRETyPYanPGOCUJck/3/6TIpsO6ww==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "cheminfo-types": "^1.10.0", @@ -9582,15 +9579,6 @@ "openchemlib": "^9.20.0" } }, - "node_modules/jcampconverter/node_modules/ensure-string": { - "version": "2.0.0", - "resolved": "https://registry.npmjs.org/ensure-string/-/ensure-string-2.0.0.tgz", - "integrity": "sha512-qej9cbqY36/lD8TdFFGugkTybqdxIWLXcqXPlLsuMoW4GJ8ExUGvLEXr+2sXbjssHiAO0hMpkK6tk3E8xphArQ==", - "license": "MIT", - "dependencies": { - "cheminfo-types": "^1.10.0" - } - }, "node_modules/jest": { "version": "30.2.0", "resolved": "https://registry.npmjs.org/jest/-/jest-30.2.0.tgz", @@ -10552,13 +10540,13 @@ "license": "MIT" }, "node_modules/mf-parser": { - "version": "3.6.0", - "resolved": "https://registry.npmjs.org/mf-parser/-/mf-parser-3.6.0.tgz", - "integrity": "sha512-vBE7hE8ZB2rtMPxJZHgfuMQIF98ebqXUDTtG/EzapRJ/CDurI/bEo8ZEyQI+ZKznGXr6HGcnBdoE2+U52v/JtA==", + "version": "3.7.1", + "resolved": "https://registry.npmjs.org/mf-parser/-/mf-parser-3.7.1.tgz", + "integrity": "sha512-JgVo43b7rkb/miykgXpE0eT+udACCvKWg2BYPysLnkOOQtosI3wP2dq7mUS8guGx2I75PnVs8/HLXbXM4K+IdQ==", "license": "MIT", "dependencies": { "atom-sorter": "^2.2.1", - "chemical-elements": "^2.2.1", + "chemical-elements": "^2.2.2", "chemical-groups": "^2.2.3" } }, @@ -10984,9 +10972,9 @@ } }, "node_modules/ml-spectra-processing": { - "version": "14.19.0", - "resolved": "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-14.19.0.tgz", - "integrity": "sha512-PbvRh/cFneCDY629qpURsaq58oz0pF+TM8w5lLtvAVfZmA6QOHEf5eh93n73HXS7HgkAzLJNXnKefCW8kSBmKQ==", + "version": "14.22.0", + "resolved": "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-14.22.0.tgz", + "integrity": "sha512-rafMp7ny4J96mMM7AUmRKKXYhNw7J4keolHaYZjiQbqSqknlAntHlng1H0O30KpsOnqHH2XBPFIlGAaQruQAxw==", "license": "MIT", "dependencies": { "binary-search": "^1.3.6", @@ -11106,9 +11094,9 @@ } }, "node_modules/nmr-processing": { - "version": "22.5.0", - "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.5.0.tgz", - "integrity": "sha512-/FLaMtROD1gwf8qqOfpynYNdtwRwqjSWzVtgcJvQekmHKFoALFwuxTV3Wj+LGmjCNWtAUauw/xb6fQ0DHAT0Tg==", + "version": "22.5.2", + "resolved": "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.5.2.tgz", + "integrity": "sha512-Dv0WsGuzMP9pxVTcX2YTdr5MEixLZ9ZUzBcu53IGfA9YororXZs6ZTIG10tteZtQKvqDutVBQhf8xOZqqy7IGQ==", "license": "CC-BY-NC-SA-4.0", "dependencies": { "binary-search": "^1.3.6", @@ -11135,7 +11123,7 @@ "ml-signal-processing": "^2.2.0", "ml-simple-clustering": "^1.0.0", "ml-sparse-matrix": "^3.1.0", - "ml-spectra-processing": "^14.19.0", + "ml-spectra-processing": "^14.21.0", "ml-tree-set": "^1.0.1", "multiplet-analysis": "^2.1.5", "nmr-correlation": "^3.0.0", @@ -11176,23 +11164,24 @@ } }, "node_modules/nmrium": { - "version": "1.12.0", - "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-1.12.0.tgz", - "integrity": "sha512-5FH4LJFPoIodoMXBMQHKjj8ejuFjrOe4RZm8ePBMLqpjM9QZhbDnIp9rmkpu2gJyogpWXv6ig+H1dcuS/1o8sA==", + "version": "2.0.0", + "resolved": "https://registry.npmjs.org/nmrium/-/nmrium-2.0.0.tgz", + "integrity": "sha512-6hWeBoQ6vIj/nTU/xnF8KBH1YK/pmb/uTKIGnCzLJPO/eGg+tSpVCOER9VllU45i973SFeGu5owGukJLCZvMDg==", "license": "MIT", "dependencies": { - "@atlaskit/pragmatic-drag-and-drop": "^1.7.7", + "@atlaskit/pragmatic-drag-and-drop": "^1.7.9", "@atlaskit/pragmatic-drag-and-drop-hitbox": "^1.1.0", "@emotion/react": "^11.14.0", "@emotion/styled": "^11.14.1", "@hookform/resolvers": "^5.2.2", "@tanstack/react-form": "^1.28.3", - "@zakodium/nmr-types": "^0.5.1", - "@zakodium/nmrium-core": "^0.6.5", - "@zakodium/nmrium-core-plugins": "^0.6.39", + "@tanstack/react-table": "^8.21.3", + "@zakodium/nmr-types": "^0.5.3", + "@zakodium/nmrium-core": "^0.7.1", + "@zakodium/nmrium-core-plugins": "^0.7.1", "@zakodium/pdnd-esm": "^1.0.2", - "@zip.js/zip.js": "^2.8.20", - "cheminfo-font": "^1.13.1", + "@zip.js/zip.js": "^2.8.22", + "cheminfo-font": "^1.20.0", "cheminfo-types": "^1.10.0", "clipboard-polyfill": "^4.1.1", "d3-array": "^3.2.4", @@ -11201,37 +11190,37 @@ "dlv": "^1.1.3", "eventemitter3": "^5.0.4", "fifo-logger": "^2.0.1", - "file-collection": "^6.6.0", + "file-collection": "^6.6.1", "file-saver": "^2.0.5", "get-jpaths": "^1.4.0", "immer": "^11.1.4", "lodash": "^4.17.23", - "mf-parser": "^3.6.0", + "mf-parser": "^3.7.0", "ml-array-mean": "^1.1.6", "ml-array-median": "^1.1.6", "ml-conrec": "^5.0.3", "ml-gsd": "^13.1.1", "ml-signal-processing": "^2.2.0", - "ml-spectra-processing": "^14.19.0", + "ml-spectra-processing": "^14.21.0", "ml-tree-similarity": "^2.2.0", "nmr-correlation": "2.3.3", - "nmr-processing": "^22.4.0", + "nmr-processing": "^22.5.2", "numeral": "^2.0.6", "openchemlib": "^9.20.0", - "openchemlib-utils": "^8.12.1", + "openchemlib-utils": "^8.13.1", "papaparse": "^5.5.3", "react-d3-utils": "^3.1.2", "react-dropzone": "^15.0.0", "react-error-boundary": "^6.1.1", - "react-hook-form": "^7.71.1", - "react-icons": "^5.5.0", + "react-hook-form": "^7.71.2", + "react-icons": "^5.6.0", "react-inspector": "^9.0.0", "react-mf": "^3.1.1", - "react-ocl": "^8.5.0", + "react-ocl": "^8.6.0", "react-ocl-nmr": "^4.1.1", "react-plot": "^3.1.2", "react-rnd": "^10.5.2", - "react-science": "^19.9.0", + "react-science": "^19.10.1", "react-table": "^7.8.0", "smart-array-filter": "^5.0.0", "yup": "^1.7.1", @@ -11503,13 +11492,13 @@ "peer": true }, "node_modules/openchemlib-utils": { - "version": "8.12.1", - "resolved": "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-8.12.1.tgz", - "integrity": "sha512-aQbEzLxunuRqwEVw6I98J9NL+Mxo3uASLbFjhsFe4ZuJZWN7G+s8tgmXO43+9kaNNeD8lAjcG6+EHNhwX+TV3w==", + "version": "8.13.1", + "resolved": "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-8.13.1.tgz", + "integrity": "sha512-kt7ChPBM3lJw0cya4qp0Qk+YXrYdJgDBJjgZTMZjeY7bfMjeFFtCA66yZaVxkIdEIOmOa/Kd3t+ohS8mOpNrpw==", "license": "MIT", "dependencies": { "atom-sorter": "^2.2.1", - "ensure-string": "^1.2.0", + "ensure-string": "^2.0.0", "get-value": "^4.0.1", "ml-floyd-warshall": "^3.0.1", "ml-matrix": "^6.12.1", @@ -12258,9 +12247,9 @@ } }, "node_modules/react-hook-form": { - "version": "7.71.1", - "resolved": "https://registry.npmjs.org/react-hook-form/-/react-hook-form-7.71.1.tgz", - "integrity": "sha512-9SUJKCGKo8HUSsCO+y0CtqkqI5nNuaDqTxyqPsZPqIwudpj4rCrAz/jZV+jn57bx5gtZKOh3neQu94DXMc+w5w==", + "version": "7.71.2", + "resolved": "https://registry.npmjs.org/react-hook-form/-/react-hook-form-7.71.2.tgz", + "integrity": "sha512-1CHvcDYzuRUNOflt4MOq3ZM46AronNJtQ1S7tnX6YN4y72qhgiUItpacZUAQ0TyWYci3yz1X+rXaSxiuEm86PA==", "license": "MIT", "peer": true, "engines": { @@ -12275,9 +12264,9 @@ } }, "node_modules/react-icons": { - "version": "5.5.0", - "resolved": "https://registry.npmjs.org/react-icons/-/react-icons-5.5.0.tgz", - "integrity": "sha512-MEFcXdkP3dLo8uumGI5xN3lDFNsRtrjbOEKDLD7yv76v4wpnEq2Lt2qeHaQOr34I/wPN3s3+N08WkQ+CW37Xiw==", + "version": "5.6.0", + "resolved": "https://registry.npmjs.org/react-icons/-/react-icons-5.6.0.tgz", + "integrity": "sha512-RH93p5ki6LfOiIt0UtDyNg/cee+HLVR6cHHtW3wALfo+eOHTp8RnU2kRkI6E+H19zMIs03DyxUG/GfZMOGvmiA==", "license": "MIT", "peerDependencies": { "react": "*" @@ -12312,12 +12301,13 @@ } }, "node_modules/react-ocl": { - "version": "8.5.0", - "resolved": "https://registry.npmjs.org/react-ocl/-/react-ocl-8.5.0.tgz", - "integrity": "sha512-IOgPuJCcGs36iiiWjVz1EuHzutlmFQak7H+YXEy0cjEodZeL7HWAqrjWzd1/uyKIpDL+Hkqzk8RNVyWt2j18xg==", + "version": "8.6.0", + "resolved": "https://registry.npmjs.org/react-ocl/-/react-ocl-8.6.0.tgz", + "integrity": "sha512-ThIaeh578kRvYJ3Ib5Vm6C5FzUSUFOmCPurxO6orN3lGHOKzTOI1BYS1QYfwQGPwO7pRUMqSshnihPaFVDbELA==", "license": "MIT", "dependencies": { - "@emotion/styled": "^11.14.1" + "@emotion/styled": "^11.14.1", + "@floating-ui/react-dom": "^2.1.7" }, "peerDependencies": { "openchemlib": ">=8", @@ -12875,6 +12865,16 @@ "ensure-string": "^1.2.0" } }, + "node_modules/sdf-parser/node_modules/ensure-string": { + "version": "1.2.0", + "resolved": "https://registry.npmjs.org/ensure-string/-/ensure-string-1.2.0.tgz", + "integrity": "sha512-Hvv2Xocfn6CSvCWgIGNzf0D5bgE6fAa65cayGOWsEXz03ej3aDpsogP3zstuLKt43zVuojQFST4XHPt9+PtuGQ==", + "license": "MIT", + "dependencies": { + "cheminfo-types": "^1.1.0", + "isutf8": "^4.0.0" + } + }, "node_modules/semver": { "version": "6.3.1", "resolved": "https://registry.npmjs.org/semver/-/semver-6.3.1.tgz", @@ -12947,6 +12947,16 @@ "range-parser": "1.2.0" } }, + "node_modules/serve-handler/node_modules/bytes": { + "version": "3.0.0", + "resolved": "https://registry.npmjs.org/bytes/-/bytes-3.0.0.tgz", + "integrity": "sha512-pMhOfFDPiv9t5jjIXkHosWmkSyQbvsgEVNkz0ERHbuLh2T/7j4Mqqpz523Fe8MVY89KC6Sh/QfS2sM+SjgFDcw==", + "dev": true, + "license": "MIT", + "engines": { + "node": ">= 0.8" + } + }, "node_modules/serve/node_modules/ajv": { "version": "8.18.0", "resolved": "https://registry.npmjs.org/ajv/-/ajv-8.18.0.tgz", @@ -13754,13 +13764,6 @@ "node": ">=10" } }, - "node_modules/terser/node_modules/commander": { - "version": "2.20.3", - "resolved": "https://registry.npmjs.org/commander/-/commander-2.20.3.tgz", - "integrity": "sha512-GpVkmM8vF2vQUkj2LvZmD35JxeJOLCwJ9cUkugyk2nuhbv3+mJvpLYYt+0+USMxE+oj+ey/lJEnhZw75x/OMcQ==", - "devOptional": true, - "license": "MIT" - }, "node_modules/terser/node_modules/source-map": { "version": "0.6.1", "resolved": "https://registry.npmjs.org/source-map/-/source-map-0.6.1.tgz", @@ -13801,7 +13804,7 @@ "version": "7.2.3", "resolved": "https://registry.npmjs.org/glob/-/glob-7.2.3.tgz", "integrity": "sha512-nFR0zLpU2YCaRxwoCJvL6UvCH2JFyFVIvwTLsIf21AuHlMskA1hhTdk+LlYJtOlYt9v6dvszD2BGRqBL+iQK9Q==", - "deprecated": "Glob versions prior to v9 are no longer supported", + "deprecated": "Old versions of glob are not supported, and contain widely publicized security vulnerabilities, which have been fixed in the current version. Please update. Support for old versions may be purchased (at exorbitant rates) by contacting i@izs.me", "dev": true, "license": "ISC", "dependencies": { @@ -14880,6 +14883,7 @@ "version": "11.1.0", "resolved": "https://registry.npmjs.org/glob/-/glob-11.1.0.tgz", "integrity": "sha512-vuNwKSaKiqm7g0THUBu2x7ckSs3XJLXE+2ssL7/MfTGPLLcrJQ/4Uq1CjPTtO5cCIiRxqvN6Twy1qOwhL0Xjcw==", + "deprecated": "Old versions of glob are not supported, and contain widely publicized security vulnerabilities, which have been fixed in the current version. Please update. Support for old versions may be purchased (at exorbitant rates) by contacting i@izs.me", "dev": true, "license": "BlueOak-1.0.0", "dependencies": { @@ -15279,6 +15283,23 @@ "integrity": "sha512-a4UGQaWPH59mOXUYnAG2ewncQS4i4F43Tv3JoAM+s2VDAmS9NsK8GpDMLrCHPksFT7h3K6TOoUNn2pb7RoXx4g==", "license": "ISC" }, + "node_modules/yaml": { + "version": "2.8.2", + "resolved": "https://registry.npmjs.org/yaml/-/yaml-2.8.2.tgz", + "integrity": "sha512-mplynKqc1C2hTVYxd0PU2xQAc22TI1vShAYGksCCfxbn/dFwnHTNi1bvYsBTkhdUNtGIf5xNOg938rrSSYvS9A==", + "license": "ISC", + "optional": true, + "peer": true, + "bin": { + "yaml": "bin.mjs" + }, + "engines": { + "node": ">= 14.6" + }, + "funding": { + "url": "https://github.com/sponsors/eemeli" + } + }, "node_modules/yargs": { "version": "17.7.2", "resolved": "https://registry.npmjs.org/yargs/-/yargs-17.7.2.tgz", diff --git a/package.json b/package.json index 424670b..adca3a2 100644 --- a/package.json +++ b/package.json @@ -18,12 +18,12 @@ "@blueprintjs/select": "^6.1.3", "@emotion/styled": "^11.14.1", "@vitejs/plugin-react": "^5.1.4", - "@zakodium/nmrium-core": "^0.6.5", - "@zakodium/nmrium-core-plugins": "^0.6.39", + "@zakodium/nmrium-core": "^0.7.1", + "@zakodium/nmrium-core-plugins": "^0.7.1", "fifo-logger": "^2.0.1", "filelist-utils": "^1.11.3", - "nmr-processing": "^22.5.0", - "nmrium": "^1.12.0", + "nmr-processing": "^22.5.2", + "nmrium": "^2.0.0", "openchemlib": "^9.20.0", "react-science": "^19.10.1" }, diff --git a/src/Loadingindicator.tsx b/src/Loadingindicator.tsx new file mode 100644 index 0000000..0e8d57a --- /dev/null +++ b/src/Loadingindicator.tsx @@ -0,0 +1,45 @@ +import { Spinner } from '@blueprintjs/core'; +import styled from '@emotion/styled'; + +const Overlay = styled.div` + position: absolute; + inset: 0; + z-index: 10; + display: flex; + flex-direction: column; + align-items: center; + justify-content: center; + background-color: rgba(255, 255, 255, 0.7); + backdrop-filter: blur(4px); + -webkit-backdrop-filter: blur(4px); + gap: 12px; + user-select: none; + -webkit-user-select: none; +`; + +const Label = styled.span` + font-size: 0.8125rem; + font-weight: 500; + letter-spacing: 0.08em; + text-transform: uppercase; + color: #6b7280; +`; + +interface LoadingIndicatorProps { + label?: string; + visible: boolean; +} + +export function LoadingIndicator({ + label = 'Loading', + visible, +}: LoadingIndicatorProps) { + if (!visible) return null; + + return ( + + + + + ); +} diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index c4ad11c..6677a02 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -1,39 +1,20 @@ -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 } from 'react'; import { RootLayout } from 'react-science/ui'; +import { LoadingIndicator } from './Loadingindicator.js'; 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'; import AboutUsModal from './modal/AboutUsModal.js'; -const styles: Record<'container' | 'loadingContainer', CSSProperties> = { - container: { - height: '100%', - width: '100%', - position: 'relative', - }, - - loadingContainer: { - position: 'absolute', - top: 0, - left: 0, - right: 0, - bottom: 0, - zIndex: 1, - display: 'flex', - alignItems: 'center', - justifyContent: 'center', - backgroundColor: '#ffffffc9', - fontSize: '1.4em', - userSelect: 'none', - WebkitUserSelect: 'none', - }, +const containerStyle: CSSProperties = { + height: '100%', + width: '100%', + position: 'relative', }; export default function NMRiumWrapper() { @@ -41,15 +22,13 @@ export default function NMRiumWrapper() { const nmriumRef = useRef(null); const { workspace, preferences, defaultEmptyMessage, customWorkspaces } = usePreferences(); + + const { load: loadSpectra, data, isLoading } = useLoadSpectra(); + const dataChangeHandler = useCallback((state, source) => { - events.trigger('data-change', { - state, - source, - }); + events.trigger('data-change', { state, source }); }, []); - const { load: loadSpectra, data, setData } = useLoadSpectra(); - useEffect(() => { const clearActionListener = events.on( 'action-request', @@ -67,33 +46,36 @@ export default function NMRiumWrapper() { } default: { throw new Error( - `ERROR! Property 'type' accept only 'exportViewerAsBlob'.`, + `ERROR! Property 'type' accepts only 'exportViewerAsBlob'.`, ); } } }, { allowedOrigins }, ); + const clearLoadListener = events.on( 'load', (loadData) => { switch (loadData.type) { - case 'nmrium': - setData(loadData.data as unknown as NMRiumData); + case 'nmrium': { + const { data, activeTab = '' } = loadData; + void loadSpectra({ nmrium: data, activeTab }); break; + } case 'file': { const { data: files, activeTab = '' } = loadData; - loadSpectra({ files, activeTab }); + void loadSpectra({ files, activeTab }); break; } case 'url': { const { data: urls, activeTab = '' } = loadData; - loadSpectra({ urls, activeTab }); + void loadSpectra({ urls, activeTab }); break; } default: { throw new Error( - `ERROR! Property 'type' accept only nmrium, url or file.`, + `ERROR! Property 'type' accepts only 'nmrium', 'url', or 'file'.`, ); } } @@ -106,16 +88,16 @@ export default function NMRiumWrapper() { clearActionListener(); }; }); + + const isShowingOverlay = isFetchAllowedOriginsPending || isLoading; + return ( - - {isFetchAllowedOriginsPending && ( -
- Loading .... -
- )} + + = { - [K in keyof T]?: T[K] extends object ? DeepPartial : T[K]; +type LoadOptions = + | { nmrium: object; activeTab?: string } + | { urls: string[]; activeTab?: string } + | { files: File[]; activeTab?: string }; + +// CoreReadReturn with `state.view` made optional to allow partial injection. +export type NMRiumData = Omit & { + state: Omit & { view?: ViewState }; }; -const core = init(); +interface UseLoadSpectraResult { + data: NMRiumData | null; + load: (options: LoadOptions) => Promise; + isLoading: boolean; +} +const core = init(); const logger = new FifoLogger(); -function handleLogger({ detail: { logs } }) { +logger.addEventListener('change', ({ detail: { logs } }) => { const log = logs.at(-1); - if (log && ['error', 'fatal', 'warn'].includes(log.levelLabel)) { - const error = log?.error || new Error(log?.message); - events.trigger('error', error); - // eslint-disable-next-line no-console - console.log(error); - } -} + if (!log || !['error', 'fatal', 'warn'].includes(log.levelLabel)) return; -logger.addEventListener('change', handleLogger); + const error = log.error ?? new Error(log.message); + events.trigger('error', error); + // eslint-disable-next-line no-console + console.log(error); +}); const PARSING_OPTIONS: Partial = { onLoadProcessing: { autoProcessing: true }, @@ -37,73 +49,57 @@ const PARSING_OPTIONS: Partial = { logger, }; -async function loadSpectraFromFiles(files: File[]) { +async function loadSpectraFromNMRium(nmrium: object): Promise { + return core.readNMRiumObject(nmrium, PARSING_OPTIONS); +} + +async function loadSpectraFromFiles(files: File[]): Promise { const fileCollection = await new FileCollection().appendFileList(files); - const { - nmriumState: { data, version }, - } = await core.read(fileCollection, PARSING_OPTIONS); - return { data, version } as NMRiumData; + return core.read(fileCollection, PARSING_OPTIONS); } -async function loadSpectraFromURLs(urls: string[]) { +async function loadSpectraFromURLs(urls: string[]): Promise { const entries = urls.map((url) => { const refURL = new URL(url); const name = getFileNameFromURL(url); let path = refURL.pathname; - const hasExtension = name?.includes('.'); - if (!hasExtension) { + + if (!name?.includes('.')) { path = `${path}.zip`; } - return { relativePath: path, baseURL: refURL.origin }; - }, []); - - const [{ data, version }] = await core.readFromWebSource( - { entries }, - PARSING_OPTIONS, - ); - return { data, version } as NMRiumData; -} - -type LoadOptions = - | { urls: string[]; activeTab?: string } - | { files: File[]; activeTab?: string }; -export type NMRiumData = Pick; + return { relativePath: path, baseURL: refURL.origin }; + }); -interface UseLoadSpectraResult { - data: NMRiumData; - load: (options: LoadOptions) => void; - setData: (data: NMRiumData) => void; - isLoading: boolean; + return core.readFromWebSource({ entries }, PARSING_OPTIONS); } export function useLoadSpectra(): UseLoadSpectraResult { - const [data, setData] = useState({ - data: { spectra: [], molecules: [] }, - version: CURRENT_EXPORT_VERSION, - }); - const [activeTab, setActiveTab] = useState(); - const [isLoading, setLoading] = useState(false); + const [result, setResult] = useState(null); + const [activeTab, setActiveTab] = useState(); + const [isLoading, setLoading] = useState(false); const load = useCallback(async (options: LoadOptions) => { setLoading(true); try { - if ('urls' in options) { - if (isArrayOfString(options.urls)) { - const result = await loadSpectraFromURLs(options.urls); - setData(result); - setActiveTab(options?.activeTab); - } else { + if ('nmrium' in options) { + const nmriumResult = await loadSpectraFromNMRium(options.nmrium); + setResult(nmriumResult); + setActiveTab( + options.activeTab ?? nmriumResult.state.view?.spectra?.activeTab, + ); + } else if ('urls' in options) { + if (!isArrayOfString(options.urls)) { 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); - setActiveTab(options?.activeTab); + setResult(await loadSpectraFromURLs(options.urls)); + setActiveTab(options.activeTab); + } else { + setResult(await loadSpectraFromFiles(options.files)); + setActiveTab(options.activeTab); } } catch (error: unknown) { - const loadError = error as Error; - events.trigger('error', loadError); + events.trigger('error', error as Error); // eslint-disable-next-line no-console console.log(error); } finally { @@ -112,14 +108,19 @@ export function useLoadSpectra(): UseLoadSpectraResult { }, []); return useMemo(() => { - let view: DeepPartial = {}; - view = { spectra: { activeTab } }; - const { version, ...other } = data; - return { - data: { version: version ?? CURRENT_EXPORT_VERSION, ...other, view }, - load, - isLoading, - setData, - }; - }, [activeTab, data, isLoading, load]); + const view = { spectra: { activeTab } } as unknown as ViewState; + + const data: NMRiumData | null = result + ? { + ...result, + state: { + version: result.state.version ?? CURRENT_EXPORT_VERSION, + ...result.state, + view, + }, + } + : null; + + return { data, load, isLoading }; + }, [activeTab, result, isLoading, load]); } diff --git a/src/hooks/useWhiteList.ts b/src/hooks/useWhiteList.ts index 4a2f6ae..e4b6e52 100644 --- a/src/hooks/useWhiteList.ts +++ b/src/hooks/useWhiteList.ts @@ -1,25 +1,29 @@ import { useEffect, useState, useTransition } from 'react'; -async function readAllowedOrigins() { - return fetch( - 'https://raw.githubusercontent.com/NFDI4Chem/nmrium-react-wrapper/main/src/allowed-origins.json', - ).then((response) => response.json()); +const ALLOWED_ORIGINS_URL = + 'https://raw.githubusercontent.com/NFDI4Chem/nmrium-react-wrapper/main/src/allowed-origins.json'; + +async function readAllowedOrigins(): Promise { + const response = await fetch(ALLOWED_ORIGINS_URL); + + if (!response.ok) { + throw new Error( + `Failed to fetch allowed origins: ${response.status} ${response.statusText}`, + ); + } + + return response.json(); } export function useWhiteList() { - const [allowedOrigins, setAllowedOrigins] = useState([]); + const [allowedOrigins, setAllowedOrigins] = useState([]); const [isFetchAllowedOriginsPending, startTransition] = useTransition(); useEffect(() => { startTransition(() => { - void readAllowedOrigins().then((whitelist) => - setAllowedOrigins(whitelist), - ); + void readAllowedOrigins().then(setAllowedOrigins); }); }, []); - return { - allowedOrigins, - isFetchAllowedOriginsPending, - }; + return { allowedOrigins, isFetchAllowedOriginsPending }; } diff --git a/yarn.lock b/yarn.lock index 83d01fa..90e7959 100644 --- a/yarn.lock +++ b/yarn.lock @@ -32,10 +32,10 @@ "@atlaskit/pragmatic-drag-and-drop" "^1.6.0" "@babel/runtime" "^7.0.0" -"@atlaskit/pragmatic-drag-and-drop@^1.6.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.7": - version "1.7.7" - resolved "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop/-/pragmatic-drag-and-drop-1.7.7.tgz" - integrity sha512-jX+68AoSTqO/fhCyJDTZ38Ey6/wyL2Iq+J/moanma0YyktpnoHxevjY1UNJHYp0NCburdQDZSL1ZFac1mO1osQ== +"@atlaskit/pragmatic-drag-and-drop@^1.6.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.0", "@atlaskit/pragmatic-drag-and-drop@^1.7.7", "@atlaskit/pragmatic-drag-and-drop@^1.7.9": + version "1.7.9" + resolved "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop/-/pragmatic-drag-and-drop-1.7.9.tgz" + integrity sha512-m/bcw5flyjfcF/rdX4JeomtIBrWuDNOwcQieiywHv7zkfIRmUC34Q9ZLeNGVoz73UiGsRqxysMuw4tC7lSJ89g== dependencies: "@babel/runtime" "^7.0.0" bind-event-listener "^3.0.0" @@ -2168,48 +2168,48 @@ "@typescript-eslint/scope-manager" "^8.51.0" "@typescript-eslint/utils" "^8.51.0" -"@zakodium/nmr-types@^0.5.1": - 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integrity sha512-PbvRh/cFneCDY629qpURsaq58oz0pF+TM8w5lLtvAVfZmA6QOHEf5eh93n73HXS7HgkAzLJNXnKefCW8kSBmKQ== +ml-spectra-processing@^14.10.0, ml-spectra-processing@^14.12.0, ml-spectra-processing@^14.18.0, ml-spectra-processing@^14.19.0, ml-spectra-processing@^14.2.0, ml-spectra-processing@^14.2.2, ml-spectra-processing@^14.21.0, ml-spectra-processing@^14.5.0, ml-spectra-processing@^14.7.0: + version "14.22.0" + resolved "https://registry.npmjs.org/ml-spectra-processing/-/ml-spectra-processing-14.22.0.tgz" + integrity sha512-rafMp7ny4J96mMM7AUmRKKXYhNw7J4keolHaYZjiQbqSqknlAntHlng1H0O30KpsOnqHH2XBPFIlGAaQruQAxw== dependencies: binary-search "^1.3.6" cheminfo-types "^1.10.0" @@ -5801,10 +5791,10 @@ nmr-correlation@2.3.3: ml-matrix-peaks-finder "^1.0.0" ml-peak-shape-generator "^4.1.1" -nmr-processing@^22.4.0, nmr-processing@^22.5.0: - version "22.5.0" - resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.5.0.tgz" - integrity sha512-/FLaMtROD1gwf8qqOfpynYNdtwRwqjSWzVtgcJvQekmHKFoALFwuxTV3Wj+LGmjCNWtAUauw/xb6fQ0DHAT0Tg== +nmr-processing@^22.5.2: + version "22.5.2" + resolved "https://registry.npmjs.org/nmr-processing/-/nmr-processing-22.5.2.tgz" + integrity sha512-Dv0WsGuzMP9pxVTcX2YTdr5MEixLZ9ZUzBcu53IGfA9YororXZs6ZTIG10tteZtQKvqDutVBQhf8xOZqqy7IGQ== dependencies: binary-search "^1.3.6" d3-color "3.1.0" @@ -5830,7 +5820,7 @@ nmr-processing@^22.4.0, nmr-processing@^22.5.0: ml-signal-processing "^2.2.0" ml-simple-clustering "^1.0.0" ml-sparse-matrix "^3.1.0" - ml-spectra-processing "^14.19.0" + ml-spectra-processing "^14.21.0" ml-tree-set "^1.0.1" multiplet-analysis "^2.1.5" nmr-correlation "^3.0.0" @@ -5839,23 +5829,24 @@ nmr-processing@^22.4.0, nmr-processing@^22.5.0: openchemlib-utils "^8.12.1" spectrum-generator "^8.1.1" -nmrium@^1.12.0: - version "1.12.0" - resolved "https://registry.npmjs.org/nmrium/-/nmrium-1.12.0.tgz" - integrity sha512-5FH4LJFPoIodoMXBMQHKjj8ejuFjrOe4RZm8ePBMLqpjM9QZhbDnIp9rmkpu2gJyogpWXv6ig+H1dcuS/1o8sA== +nmrium@^2.0.0: + version "2.0.0" + resolved "https://registry.npmjs.org/nmrium/-/nmrium-2.0.0.tgz" + integrity sha512-6hWeBoQ6vIj/nTU/xnF8KBH1YK/pmb/uTKIGnCzLJPO/eGg+tSpVCOER9VllU45i973SFeGu5owGukJLCZvMDg== dependencies: - "@atlaskit/pragmatic-drag-and-drop" "^1.7.7" + "@atlaskit/pragmatic-drag-and-drop" "^1.7.9" "@atlaskit/pragmatic-drag-and-drop-hitbox" "^1.1.0" "@emotion/react" "^11.14.0" "@emotion/styled" "^11.14.1" "@hookform/resolvers" "^5.2.2" "@tanstack/react-form" "^1.28.3" - "@zakodium/nmr-types" "^0.5.1" - "@zakodium/nmrium-core" "^0.6.5" - "@zakodium/nmrium-core-plugins" "^0.6.39" + "@tanstack/react-table" "^8.21.3" + "@zakodium/nmr-types" "^0.5.3" + "@zakodium/nmrium-core" "^0.7.1" + "@zakodium/nmrium-core-plugins" "^0.7.1" "@zakodium/pdnd-esm" "^1.0.2" - "@zip.js/zip.js" "^2.8.20" - cheminfo-font "^1.13.1" + "@zip.js/zip.js" "^2.8.22" + cheminfo-font "^1.20.0" cheminfo-types "^1.10.0" clipboard-polyfill "^4.1.1" d3-array "^3.2.4" @@ -5864,37 +5855,37 @@ nmrium@^1.12.0: dlv "^1.1.3" eventemitter3 "^5.0.4" fifo-logger "^2.0.1" - file-collection "^6.6.0" + file-collection "^6.6.1" file-saver "^2.0.5" get-jpaths "^1.4.0" immer "^11.1.4" lodash "^4.17.23" - mf-parser "^3.6.0" + mf-parser "^3.7.0" ml-array-mean "^1.1.6" ml-array-median "^1.1.6" ml-conrec "^5.0.3" ml-gsd "^13.1.1" ml-signal-processing "^2.2.0" - ml-spectra-processing "^14.19.0" + ml-spectra-processing "^14.21.0" ml-tree-similarity "^2.2.0" nmr-correlation "2.3.3" - nmr-processing "^22.4.0" + nmr-processing "^22.5.2" numeral "^2.0.6" openchemlib "^9.20.0" - openchemlib-utils "^8.12.1" + openchemlib-utils "^8.13.1" papaparse "^5.5.3" react-d3-utils "^3.1.2" react-dropzone "^15.0.0" react-error-boundary "^6.1.1" - react-hook-form "^7.71.1" - react-icons "^5.5.0" + react-hook-form "^7.71.2" + react-icons "^5.6.0" react-inspector "^9.0.0" react-mf "^3.1.1" - react-ocl "^8.5.0" + react-ocl "^8.6.0" react-ocl-nmr "^4.1.1" react-plot "^3.1.2" react-rnd "^10.5.2" - react-science "^19.9.0" + react-science "^19.10.1" react-table "^7.8.0" smart-array-filter "^5.0.0" yup "^1.7.1" @@ -6035,13 +6026,13 @@ onetime@^5.1.2: dependencies: mimic-fn "^2.1.0" -openchemlib-utils@^8.1.1, openchemlib-utils@^8.12.1: - version "8.12.1" - resolved "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-8.12.1.tgz" - integrity sha512-aQbEzLxunuRqwEVw6I98J9NL+Mxo3uASLbFjhsFe4ZuJZWN7G+s8tgmXO43+9kaNNeD8lAjcG6+EHNhwX+TV3w== +openchemlib-utils@^8.1.1, openchemlib-utils@^8.12.1, openchemlib-utils@^8.13.1: + version "8.13.1" + resolved "https://registry.npmjs.org/openchemlib-utils/-/openchemlib-utils-8.13.1.tgz" + integrity sha512-kt7ChPBM3lJw0cya4qp0Qk+YXrYdJgDBJjgZTMZjeY7bfMjeFFtCA66yZaVxkIdEIOmOa/Kd3t+ohS8mOpNrpw== dependencies: atom-sorter "^2.2.1" - ensure-string "^1.2.0" + ensure-string "^2.0.0" get-value "^4.0.1" ml-floyd-warshall "^3.0.1" ml-matrix "^6.12.1" @@ -6436,15 +6427,15 @@ react-full-screen@^1.1.1: dependencies: fscreen "^1.0.2" -react-hook-form@^7.55.0, react-hook-form@^7.71.1: - version "7.71.1" - resolved "https://registry.npmjs.org/react-hook-form/-/react-hook-form-7.71.1.tgz" - integrity sha512-9SUJKCGKo8HUSsCO+y0CtqkqI5nNuaDqTxyqPsZPqIwudpj4rCrAz/jZV+jn57bx5gtZKOh3neQu94DXMc+w5w== +react-hook-form@^7.55.0, react-hook-form@^7.71.2: + version "7.71.2" + resolved "https://registry.npmjs.org/react-hook-form/-/react-hook-form-7.71.2.tgz" + integrity sha512-1CHvcDYzuRUNOflt4MOq3ZM46AronNJtQ1S7tnX6YN4y72qhgiUItpacZUAQ0TyWYci3yz1X+rXaSxiuEm86PA== -react-icons@^5.5.0: - version "5.5.0" - resolved "https://registry.npmjs.org/react-icons/-/react-icons-5.5.0.tgz" - integrity sha512-MEFcXdkP3dLo8uumGI5xN3lDFNsRtrjbOEKDLD7yv76v4wpnEq2Lt2qeHaQOr34I/wPN3s3+N08WkQ+CW37Xiw== +react-icons@^5.5.0, react-icons@^5.6.0: + version "5.6.0" + resolved "https://registry.npmjs.org/react-icons/-/react-icons-5.6.0.tgz" + integrity sha512-RH93p5ki6LfOiIt0UtDyNg/cee+HLVR6cHHtW3wALfo+eOHTp8RnU2kRkI6E+H19zMIs03DyxUG/GfZMOGvmiA== react-inspector@^9.0.0: version "9.0.0" @@ -6477,12 +6468,13 @@ react-ocl-nmr@^4.1.1: openchemlib-utils "^8.1.1" react-ocl "^8.2.0" -react-ocl@^8.2.0, react-ocl@^8.5.0: - version "8.5.0" - resolved "https://registry.npmjs.org/react-ocl/-/react-ocl-8.5.0.tgz" - integrity sha512-IOgPuJCcGs36iiiWjVz1EuHzutlmFQak7H+YXEy0cjEodZeL7HWAqrjWzd1/uyKIpDL+Hkqzk8RNVyWt2j18xg== +react-ocl@^8.2.0, react-ocl@^8.6.0: + version "8.6.0" + resolved "https://registry.npmjs.org/react-ocl/-/react-ocl-8.6.0.tgz" + integrity sha512-ThIaeh578kRvYJ3Ib5Vm6C5FzUSUFOmCPurxO6orN3lGHOKzTOI1BYS1QYfwQGPwO7pRUMqSshnihPaFVDbELA== dependencies: "@emotion/styled" "^11.14.1" + "@floating-ui/react-dom" "^2.1.7" react-plot@^3.1.2: version "3.1.2" @@ -6534,7 +6526,7 @@ react-router@7.13.1: cookie "^1.0.1" set-cookie-parser "^2.6.0" -react-science@^19.10.1, react-science@^19.9.0: +react-science@^19.10.1: version "19.10.1" resolved "https://registry.npmjs.org/react-science/-/react-science-19.10.1.tgz" integrity sha512-QDsZPEiog8IvG9s35M7gMIYoWbxsxEYx7VBCGf2GkotKuM/lIUlVUReDGiKL9IexEoYCVlemH+kkme5xBMiWSA== @@ -8005,6 +7997,11 @@ yaml@^1.10.0: resolved "https://registry.npmjs.org/yaml/-/yaml-1.10.2.tgz" integrity sha512-r3vXyErRCYJ7wg28yvBY5VSoAF8ZvlcW9/BwUzEtUsjvX/DKs24dIkuwjtuprwJJHsbyUbLApepYTR1BN4uHrg== +yaml@^2.4.2: + version "2.8.2" + resolved "https://registry.npmjs.org/yaml/-/yaml-2.8.2.tgz" + integrity sha512-mplynKqc1C2hTVYxd0PU2xQAc22TI1vShAYGksCCfxbn/dFwnHTNi1bvYsBTkhdUNtGIf5xNOg938rrSSYvS9A== + yargs-parser@^21.1.1: version "21.1.1" resolved "https://registry.npmjs.org/yargs-parser/-/yargs-parser-21.1.1.tgz" From 606f0b53c63e2d7fb17ae03aa8587fed9510dac3 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 6 Mar 2026 11:30:54 +0100 Subject: [PATCH 19/28] fix: debounce data-change event for SET_2D_LEVEL action The event is now delayed by 100ms and only triggers once scrolling stops, reducing unnecessary re-renders for consumers of the data-change event. --- src/NMRiumWrapper.tsx | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index 6677a02..b9d86ff 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -25,7 +25,20 @@ export default function NMRiumWrapper() { const { load: loadSpectra, data, isLoading } = useLoadSpectra(); + const debounceTimerRef = useRef | null>(null); + const dataChangeHandler = useCallback((state, source) => { + if (source === 'view' && state.data.actionType === 'SET_2D_LEVEL') { + if (debounceTimerRef.current !== null) { + clearTimeout(debounceTimerRef.current); + } + debounceTimerRef.current = setTimeout(() => { + events.trigger('data-change', { state, source }); + debounceTimerRef.current = null; + }, 100); + return; + } + events.trigger('data-change', { state, source }); }, []); From 6ea0043d9768418bc5f95f210582096e9ab50cfd Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 6 Mar 2026 12:48:05 +0100 Subject: [PATCH 20/28] Revert "fix: debounce data-change event for SET_2D_LEVEL action" This reverts commit 606f0b53c63e2d7fb17ae03aa8587fed9510dac3. --- src/NMRiumWrapper.tsx | 13 ------------- 1 file changed, 13 deletions(-) diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index b9d86ff..6677a02 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -25,20 +25,7 @@ export default function NMRiumWrapper() { const { load: loadSpectra, data, isLoading } = useLoadSpectra(); - const debounceTimerRef = useRef | null>(null); - const dataChangeHandler = useCallback((state, source) => { - if (source === 'view' && state.data.actionType === 'SET_2D_LEVEL') { - if (debounceTimerRef.current !== null) { - clearTimeout(debounceTimerRef.current); - } - debounceTimerRef.current = setTimeout(() => { - events.trigger('data-change', { state, source }); - debounceTimerRef.current = null; - }, 100); - return; - } - events.trigger('data-change', { state, source }); }, []); From 70f45306823e4c17b4fd1f75827ed7ace7743026 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 6 Mar 2026 12:50:51 +0100 Subject: [PATCH 21/28] fix: skip data-change event for SET_2D_LEVEL action Avoid triggering unnecessary data-change events when the 2D level changes. This should be handled internally in NMRium. --- src/NMRiumWrapper.tsx | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/NMRiumWrapper.tsx b/src/NMRiumWrapper.tsx index 6677a02..10978e3 100644 --- a/src/NMRiumWrapper.tsx +++ b/src/NMRiumWrapper.tsx @@ -26,6 +26,10 @@ export default function NMRiumWrapper() { const { load: loadSpectra, data, isLoading } = useLoadSpectra(); const dataChangeHandler = useCallback((state, source) => { + // avoid triggering data-change event for SET_2D_LEVEL action, This should be handled internally in NMRium + if (source === 'view' && state.data.actionType === 'SET_2D_LEVEL') { + return; + } events.trigger('data-change', { state, source }); }, []); From 81bed0ae2e754835471270741171b217caebb65f Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Fri, 13 Mar 2026 11:24:25 +0100 Subject: [PATCH 22/28] fix: trigger data-change event when loading data --- src/hooks/useLoadSpectra.ts | 37 ++++++++++++++++++++++++++++--------- 1 file changed, 28 insertions(+), 9 deletions(-) diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index 631221d..ffc0c77 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -1,5 +1,6 @@ import type { CoreReadReturn, + NmriumState, ParsingOptions, ViewState, } from '@zakodium/nmrium-core'; @@ -82,22 +83,40 @@ export function useLoadSpectra(): UseLoadSpectraResult { const load = useCallback(async (options: LoadOptions) => { setLoading(true); try { + let loadedResult: CoreReadReturn; + let resolvedActiveTab: string | undefined; + if ('nmrium' in options) { - const nmriumResult = await loadSpectraFromNMRium(options.nmrium); - setResult(nmriumResult); - setActiveTab( - options.activeTab ?? nmriumResult.state.view?.spectra?.activeTab, - ); + loadedResult = await loadSpectraFromNMRium(options.nmrium); + resolvedActiveTab = + options.activeTab ?? loadedResult.state.view?.spectra?.activeTab; } else if ('urls' in options) { if (!isArrayOfString(options.urls)) { throw new Error('The input must be a valid urls array of string[]'); } - setResult(await loadSpectraFromURLs(options.urls)); - setActiveTab(options.activeTab); + loadedResult = await loadSpectraFromURLs(options.urls); + resolvedActiveTab = options.activeTab; } else { - setResult(await loadSpectraFromFiles(options.files)); - setActiveTab(options.activeTab); + loadedResult = await loadSpectraFromFiles(options.files); + resolvedActiveTab = options.activeTab; } + + setResult(loadedResult); + setActiveTab(resolvedActiveTab); + const state = { + ...loadedResult.state, + data: { + spectra: [], + molecules: [], + ...loadedResult.state.data, + actionType: 'INITIATE', + }, + }; + + events.trigger('data-change', { + source: 'data', + state: state as NmriumState, + }); } catch (error: unknown) { events.trigger('error', error as Error); // eslint-disable-next-line no-console From f1b889d1e26c00190e12407c21ea6967abbb807b Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Thu, 16 Apr 2026 12:22:23 +0200 Subject: [PATCH 23/28] chore: update dependencies update vite to version 8 --- package-lock.json | 3494 ++++++++++++++++----------------- package.json | 40 +- src/workspaces/integration.ts | 1 + src/workspaces/nmrxiv.ts | 1 + vite.config.ts | 37 +- yarn.lock | 1741 ++++++++-------- 6 files changed, 2584 insertions(+), 2730 deletions(-) diff --git a/package-lock.json b/package-lock.json index 48cca21..361fb47 100644 --- a/package-lock.json +++ b/package-lock.json @@ -9,44 +9,44 @@ "version": "1.0.0", "license": "MIT", "dependencies": { - "@blueprintjs/core": "^6.9.1", - "@blueprintjs/icons": "^6.6.0", - "@blueprintjs/select": "^6.1.3", + "@blueprintjs/core": "^6.12.0", + "@blueprintjs/icons": "^6.9.0", + "@blueprintjs/select": "^6.1.9", "@emotion/styled": "^11.14.1", - "@vitejs/plugin-react": "^5.1.4", - "@zakodium/nmrium-core": "^0.7.1", - "@zakodium/nmrium-core-plugins": "^0.7.1", + "@vitejs/plugin-react": "^6.0.1", + "@zakodium/nmrium-core": "^0.7.11", + "@zakodium/nmrium-core-plugins": "^0.7.14", "fifo-logger": "^2.0.1", "filelist-utils": "^1.11.3", - "nmr-processing": "^22.5.2", + "nmr-processing": "^22.8.2", "nmrium": "^2.0.0", - "openchemlib": "^9.20.0", - "react-science": "^19.10.1" + "openchemlib": "^9.22.0", + "react-science": "^19.10.4" }, "devDependencies": { "@babel/plugin-transform-modules-commonjs": "^7.28.6", "@babel/preset-react": "^7.28.5", "@babel/preset-typescript": "^7.28.5", - "@playwright/test": "^1.58.2", + "@playwright/test": "^1.59.1", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^30.0.0", - 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"license": "MIT", - "peer": true, - "engines": { - "node": ">=12" - }, - "funding": { - "url": "https://github.com/sponsors/jonschlinkert" - } - }, "node_modules/walker": { "version": "1.0.8", "resolved": "https://registry.npmjs.org/walker/-/walker-1.0.8.tgz", @@ -14791,69 +14731,6 @@ "ajv": ">=8" } }, - "node_modules/workbox-build/node_modules/@rollup/plugin-babel": { - "version": "5.3.1", - "resolved": "https://registry.npmjs.org/@rollup/plugin-babel/-/plugin-babel-5.3.1.tgz", - "integrity": "sha512-WFfdLWU/xVWKeRQnKmIAQULUI7Il0gZnBIH/ZFO069wYIfPu+8zrfp/KMW0atmELoRDq8FbiP3VCss9MhCut7Q==", - "dev": true, - "license": "MIT", - "dependencies": { - "@babel/helper-module-imports": "^7.10.4", - "@rollup/pluginutils": "^3.1.0" - }, - "engines": { - "node": ">= 10.0.0" - }, - "peerDependencies": { - "@babel/core": "^7.0.0", - "@types/babel__core": "^7.1.9", - "rollup": "^1.20.0||^2.0.0" - }, - "peerDependenciesMeta": { - "@types/babel__core": { - "optional": true - } - } - }, - 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"^1.20.0||^2.0.0" - } - }, - "node_modules/workbox-build/node_modules/@types/estree": { - "version": "0.0.39", - "resolved": "https://registry.npmjs.org/@types/estree/-/estree-0.0.39.tgz", - "integrity": "sha512-EYNwp3bU+98cpU4lAWYYL7Zz+2gryWH1qbdDTidVd6hkiR6weksdbMadyXKXNPEkQFhXM+hVO9ZygomHXp+AIw==", - "dev": true, - "license": "MIT" - }, "node_modules/workbox-build/node_modules/ajv": { "version": "8.17.1", "resolved": "https://registry.npmjs.org/ajv/-/ajv-8.17.1.tgz", @@ -14872,13 +14749,6 @@ "url": "https://github.com/sponsors/epoberezkin" } }, - "node_modules/workbox-build/node_modules/estree-walker": { - "version": "1.0.1", - "resolved": "https://registry.npmjs.org/estree-walker/-/estree-walker-1.0.1.tgz", - "integrity": "sha512-1fMXF3YP4pZZVozF8j/ZLfvnR8NSIljt56UhbZ5PeeDmmGHpgpdwQt7ITlGvYaQukCvuBRMLEiKiYC+oeIg4cg==", - "dev": true, - "license": "MIT" - }, "node_modules/workbox-build/node_modules/glob": { "version": "11.1.0", "resolved": "https://registry.npmjs.org/glob/-/glob-11.1.0.tgz", @@ -14983,23 +14853,6 @@ "url": "https://github.com/sponsors/sindresorhus" } }, - "node_modules/workbox-build/node_modules/rollup": { - "version": "2.79.2", - "resolved": "https://registry.npmjs.org/rollup/-/rollup-2.79.2.tgz", - "integrity": "sha512-fS6iqSPZDs3dr/y7Od6y5nha8dW1YnbgtsyotCVvoFGKbERG++CVRFv1meyGDE1SNItQA8BrnCw7ScdAhRJ3XQ==", - "dev": true, - "license": "MIT", - "peer": true, - "bin": { - "rollup": "dist/bin/rollup" - }, - "engines": { - "node": ">=10.0.0" - }, - "optionalDependencies": { - "fsevents": "~2.3.2" - } - }, "node_modules/workbox-build/node_modules/source-map": { "version": "0.8.0-beta.0", "resolved": "https://registry.npmjs.org/source-map/-/source-map-0.8.0-beta.0.tgz", @@ -15281,12 +15134,13 @@ "version": "3.1.1", "resolved": "https://registry.npmjs.org/yallist/-/yallist-3.1.1.tgz", "integrity": "sha512-a4UGQaWPH59mOXUYnAG2ewncQS4i4F43Tv3JoAM+s2VDAmS9NsK8GpDMLrCHPksFT7h3K6TOoUNn2pb7RoXx4g==", + "dev": true, "license": "ISC" }, "node_modules/yaml": { - "version": "2.8.2", - "resolved": "https://registry.npmjs.org/yaml/-/yaml-2.8.2.tgz", - "integrity": "sha512-mplynKqc1C2hTVYxd0PU2xQAc22TI1vShAYGksCCfxbn/dFwnHTNi1bvYsBTkhdUNtGIf5xNOg938rrSSYvS9A==", + "version": "2.8.3", + "resolved": "https://registry.npmjs.org/yaml/-/yaml-2.8.3.tgz", + "integrity": "sha512-AvbaCLOO2Otw/lW5bmh9d/WEdcDFdQp2Z2ZUH3pX9U2ihyUY0nvLv7J6TrWowklRGPYbB/IuIMfYgxaCPg5Bpg==", "license": "ISC", "optional": true, "peer": true, diff --git a/package.json b/package.json index adca3a2..f310926 100644 --- a/package.json +++ b/package.json @@ -13,19 +13,19 @@ "node": "24.4.0" }, "dependencies": { - "@blueprintjs/core": "^6.9.1", - "@blueprintjs/icons": "^6.6.0", - "@blueprintjs/select": "^6.1.3", + "@blueprintjs/core": "^6.12.0", + "@blueprintjs/icons": "^6.9.0", + "@blueprintjs/select": "^6.1.9", "@emotion/styled": "^11.14.1", - "@vitejs/plugin-react": "^5.1.4", - "@zakodium/nmrium-core": "^0.7.1", - "@zakodium/nmrium-core-plugins": "^0.7.1", + "@vitejs/plugin-react": "^6.0.1", + "@zakodium/nmrium-core": "^0.7.11", + "@zakodium/nmrium-core-plugins": "^0.7.14", "fifo-logger": "^2.0.1", "filelist-utils": "^1.11.3", - "nmr-processing": "^22.5.2", + "nmr-processing": "^22.8.2", "nmrium": "^2.0.0", - "openchemlib": "^9.20.0", - "react-science": "^19.10.1" + "openchemlib": "^9.22.0", + "react-science": "^19.10.4" }, "scripts": { "start": "vite --host localhost --port 3000 --open", @@ -46,25 +46,25 @@ "@babel/plugin-transform-modules-commonjs": "^7.28.6", "@babel/preset-react": "^7.28.5", "@babel/preset-typescript": "^7.28.5", - "@playwright/test": "^1.58.2", + "@playwright/test": "^1.59.1", "@simbathesailor/use-what-changed": "^2.0.0", "@types/jest": "^30.0.0", - "@types/node": "^25.3.5", + "@types/node": "^25.6.0", "@types/react": "^18.3.3", "@types/react-dom": "^18.3.0", "@types/react-router-dom": "^5.3.3", "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", + "eslint-config-cheminfo-react": "^20.0.0", + "eslint-config-cheminfo-typescript": "^22.0.0", + "jest": "^30.3.0", + "prettier": "3.8.3", "react": "^18.3.1", "react-dom": "^18.3.1", - "react-router-dom": "^7.13.1", + "react-router-dom": "^7.14.1", "serve": "^14.2.6", - "typescript": "^5.9.3", - "vite": "^7.3.1", - "vite-plugin-pwa": "^1.2.0" + "typescript": "^6.0.2", + "vite": "^8.0.8", + "vite-plugin-pwa": "https://pkg.pr.new/vite-plugin-pwa@924" } -} \ No newline at end of file +} diff --git a/src/workspaces/integration.ts b/src/workspaces/integration.ts index 153accd..a5835fc 100644 --- a/src/workspaces/integration.ts +++ b/src/workspaces/integration.ts @@ -20,6 +20,7 @@ export function getIntegrationWorkspace( popupLoggingLevel: 'error', invert: true, invertScroll: false, + molecules: { labelStyle: {} }, }, display: { general: { diff --git a/src/workspaces/nmrxiv.ts b/src/workspaces/nmrxiv.ts index 8fd4712..4225d09 100644 --- a/src/workspaces/nmrxiv.ts +++ b/src/workspaces/nmrxiv.ts @@ -12,6 +12,7 @@ export function getNmrXivWorkspace(hidePanelOnLoad = false): InnerWorkspace { invert: false, popupLoggingLevel: 'error', invertScroll: false, + molecules: { labelStyle: {} }, }, display: { general: { diff --git a/vite.config.ts b/vite.config.ts index ca5a424..3f58be6 100644 --- a/vite.config.ts +++ b/vite.config.ts @@ -51,25 +51,34 @@ const pwaSettings: Partial = { export default () => { return defineConfig({ base: './', - esbuild: { - jsx: 'automatic', - sourcemap: true, - }, build: { outDir: process.env.VITE_BUILD_OUT_DIR || 'dist', sourcemap: true, - minify: process.env.NO_MINIFY ? false : 'esbuild', - rollupOptions: { + minify: process.env.NO_MINIFY ? false : 'oxc', + rolldownOptions: { output: { - manualChunks(id) { - if (id.includes('node_modules/openchemlib/')) { - return 'openchemlib'; - } + strictExecutionOrder: true, + codeSplitting: { + + groups: [ + { + name: 'openchemlib', test: 'node_modules/openchemlib/', + entriesAware: true, + }, + { + name: 'd3', + test: /node_modules\/d3[-/]/, + entriesAware: true, + }, + { + name: 'blueprint', + test: 'node_modules/@blueprintjs/', + entriesAware: true, + }, + { name: 'vendor', test: 'node_modules/', entriesAware: true, maxSize: 500_000 }, + ], - if (id.includes('node_modules')) { - return 'vendor'; - } - }, + } }, } }, diff --git a/yarn.lock b/yarn.lock index 90e7959..112210d 100644 --- a/yarn.lock +++ b/yarn.lock @@ -55,7 +55,7 @@ resolved "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.6.tgz" integrity sha512-2lfu57JtzctfIrcGMz992hyLlByuzgIk58+hhGCxjKZ3rWI82NnVLjXcaTqkI2NvlcvOskZaiZ5kjUALo3Lpxg== -"@babel/core@^7.0.0", "@babel/core@^7.0.0 || ^8.0.0-0", "@babel/core@^7.0.0-0", "@babel/core@^7.0.0-0 || ^8.0.0-0 <8.0.0", "@babel/core@^7.11.0 || ^8.0.0-0", "@babel/core@^7.11.0 || ^8.0.0-beta.1", "@babel/core@^7.12.0", "@babel/core@^7.13.0", 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vite@^8.0.8: - version "8.0.8" - resolved "https://registry.npmjs.org/vite/-/vite-8.0.8.tgz" - integrity sha512-dbU7/iLVa8KZALJyLOBOQ88nOXtNG8vxKuOT4I2mD+Ya70KPceF4IAmDsmU0h1Qsn5bPrvsY9HJstCRh3hG6Uw== +"vite@^3.1.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0 || ^8.0.0", vite@^8.0.0, vite@^8.0.10: + version "8.0.10" + resolved "https://registry.npmjs.org/vite/-/vite-8.0.10.tgz" + integrity sha512-rZuUu9j6J5uotLDs+cAA4O5H4K1SfPliUlQwqa6YEwSrWDZzP4rhm00oJR5snMewjxF5V/K3D4kctsUTsIU9Mw== dependencies: lightningcss "^1.32.0" picomatch "^4.0.4" - postcss "^8.5.8" - rolldown "1.0.0-rc.15" - tinyglobby "^0.2.15" + postcss "^8.5.10" + rolldown "1.0.0-rc.17" + tinyglobby "^0.2.16" optionalDependencies: fsevents "~2.3.3" @@ -7987,9 +7987,9 @@ yaml@^1.10.0: integrity sha512-r3vXyErRCYJ7wg28yvBY5VSoAF8ZvlcW9/BwUzEtUsjvX/DKs24dIkuwjtuprwJJHsbyUbLApepYTR1BN4uHrg== yaml@^2.4.2: - version "2.8.3" - resolved "https://registry.npmjs.org/yaml/-/yaml-2.8.3.tgz" - integrity 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"@floating-ui/react-dom" "^2.1.7" @@ -6487,13 +6473,13 @@ react-popper@^2.3.0: react-fast-compare "^3.0.1" warning "^4.0.2" -react-rnd@^10.5.2: - version "10.5.2" - resolved "https://registry.npmjs.org/react-rnd/-/react-rnd-10.5.2.tgz" - integrity sha512-0Tm4x7k7pfHf2snewJA8x7Nwgt3LV+58MVEWOVsFjk51eYruFEa6Wy7BNdxt4/lH0wIRsu7Gm3KjSXY2w7YaNw== +react-rnd@^10.5.3: + version "10.5.3" + resolved "https://registry.npmjs.org/react-rnd/-/react-rnd-10.5.3.tgz" + integrity sha512-s/sIT3pGZnQ+57egijkTp9mizjIWrJz68Pq6yd+F/wniFY3IriML18dUXnQe/HP9uMiJ+9MAp44hljG99fZu6Q== dependencies: - re-resizable "6.11.2" - react-draggable "4.4.6" + re-resizable "^6.11.2" + react-draggable "^4.5.0" tslib "2.6.2" react-router-dom@^7.14.2: @@ -6511,7 +6497,7 @@ react-router@7.14.2: cookie "^1.0.1" set-cookie-parser "^2.6.0" -react-science@^19.10.1, react-science@^19.11.0: +react-science@^19.10.4, react-science@^19.11.0: version "19.11.0" resolved 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"https://registry.npmjs.org/zod/-/zod-4.3.6.tgz" - integrity sha512-rftlrkhHZOcjDwkGlnUtZZkvaPHCsDATp4pGpuOOMDaTdDDXF91wuVDJoWoPsKX/3YPQ5fHuF3STjcYyKr+Qhg== +"zod@^3.25.0 || ^4.0.0", zod@^4.3.6, zod@^4.4.1: + version "4.4.3" + resolved "https://registry.npmjs.org/zod/-/zod-4.4.3.tgz" + integrity sha512-ytENFjIJFl2UwYglde2jchW2Hwm4GJFLDiSXWdTrJQBIN9Fcyp7n4DhxJEiWNAJMV1/BqWfW/kkg71UDcHJyTQ== From c1284d1e63bcdc9a6939f3d0b135af6d2e944224 Mon Sep 17 00:00:00 2001 From: hamed musallam Date: Tue, 5 May 2026 13:13:07 +0200 Subject: [PATCH 26/28] chore: update package-lock.json --- package-lock.json | 1937 ++++++----- yarn.lock | 8016 --------------------------------------------- 2 files changed, 1180 insertions(+), 8773 deletions(-) delete mode 100644 yarn.lock diff --git a/package-lock.json b/package-lock.json index e82a3b6..8cb7480 100644 --- a/package-lock.json +++ b/package-lock.json @@ -49,16 +49,6 @@ "vite-plugin-pwa": "https://pkg.pr.new/vite-plugin-pwa@924" } }, - "node_modules/@aashutoshrathi/word-wrap": { - "version": "1.2.6", - "resolved": "https://registry.npmjs.org/@aashutoshrathi/word-wrap/-/word-wrap-1.2.6.tgz", - "integrity": "sha512-1Yjs2SvM8TflER/OD3cOjhWWOZb58A2t7wpE2S9XfBYTiIl+XFhQG2bjy4Pu1I+EAlCNUzRDYDdFwFYUKvXcIA==", - "dev": true, - "license": "MIT", - "engines": { - "node": ">=0.10.0" - } - }, "node_modules/@atlaskit/pragmatic-drag-and-drop": { "version": "1.8.1", "resolved": "https://registry.npmjs.org/@atlaskit/pragmatic-drag-and-drop/-/pragmatic-drag-and-drop-1.8.1.tgz", @@ -105,9 +95,9 @@ } }, "node_modules/@babel/compat-data": { - "version": "7.28.6", - "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.6.tgz", - "integrity": "sha512-2lfu57JtzctfIrcGMz992hyLlByuzgIk58+hhGCxjKZ3rWI82NnVLjXcaTqkI2NvlcvOskZaiZ5kjUALo3Lpxg==", + "version": "7.29.3", + "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.29.3.tgz", + "integrity": 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