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"nmr-processing": "^19.4.1", - "nmrium": "^1.6.1", - "openchemlib": "^9.12.0", + "nmr-processing": "^22.1.0", + "nmrium": "^1.10.1", + "openchemlib": "^9.19.0", "react-science": "^19.4.0" }, "scripts": { diff --git a/src/hooks/useLoadSpectra.ts b/src/hooks/useLoadSpectra.ts index ab8fad0..5fc07df 100644 --- a/src/hooks/useLoadSpectra.ts +++ b/src/hooks/useLoadSpectra.ts @@ -36,7 +36,7 @@ logger.addEventListener('change', handleLogger); const PARSING_OPTIONS: Partial = { onLoadProcessing: { autoProcessing: true }, experimentalFeatures: true, - sourceSelector: { general: { dataSelection: 'preferFT' } }, + selector: { general: { dataSelection: 'preferFT' } }, logger, }; @@ -60,7 +60,7 @@ async function loadSpectraFromURLs(urls: string[]) { return { relativePath: path, baseURL: refURL.origin }; }, []); - const { data } = await core.readFromWebSource({ entries }, PARSING_OPTIONS); + const [{ data }] = await core.readFromWebSource({ entries }, PARSING_OPTIONS); return data; } 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, + }, + }; +} diff --git a/yarn.lock b/yarn.lock index fa8fb38..ff452fd 100644 --- a/yarn.lock +++ b/yarn.lock @@ -1768,36 +1768,40 @@ magic-string "^0.25.0" string.prototype.matchall "^4.0.6" -"@tanstack/devtools-event-client@^0.3.2": - 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