feat: create a workspace for simulation (#2532)

* feat: add the simulation panel to general settings * feat: add 'simulation' workspace * chore(demo): add simulation example under Workspaces section * feat: change the dimmedSpectraOpacity in the simulation workspace to 0.5 * feat: upgrade nmr-load-save to version 0.14.0 close #2527
cheminfo · Jul 21, 2023 · 1ca5910 · 1ca5910
1 parent 21b1e1b
commit 1ca5910
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Showing 12 changed files with 98 additions and 7 deletions.
diff --git a/package-lock.json b/package-lock.json
diff --git a/package.json b/package.json
@@ -86,7 +86,7 @@
     "ml-stat": "^1.3.3",
     "multiplet-analysis": "^2.1.1",
     "nmr-correlation": "^2.3.3",
-    "nmr-load-save": "^0.13.6",
+    "nmr-load-save": "^0.14.0",
     "nmr-processing": "^9.7.8",
     "nmredata": "^0.9.2",
     "numeral": "^2.0.6",

diff --git a/src/component/NMRium.tsx b/src/component/NMRium.tsx
@@ -116,6 +116,7 @@ export type NMRiumWorkspace =
   | 'prediction'
   | 'embedded'
   | 'assignment'
+  | 'simulation'
   // eslint-disable-next-line @typescript-eslint/ban-types
   | (string & {});
 

diff --git a/src/component/modal/setting/settings-tabs/DisplayTabContent.tsx b/src/component/modal/setting/settings-tabs/DisplayTabContent.tsx
@@ -64,6 +64,10 @@ const LIST: ListItem[] = [
     label: 'Matrix generation Panel',
     name: 'panels.matrixGenerationPanel',
   },
+  {
+    label: 'Simulation panel',
+    name: 'panels.simulationPanel',
+  },
 ];
 
 const COLUMNS: Array<CustomColumn<ListItem>> = [

diff --git a/src/component/panels/Panels.tsx b/src/component/panels/Panels.tsx
@@ -122,8 +122,7 @@ const accordionItems: AccordionItem[] = [
   {
     title: 'Spectrum Simulation',
     component: <SpectrumSimulation />,
-    isExperimental: true,
-    hidePreferenceKey: '',
+    hidePreferenceKey: 'simulationPanel',
     mode: DISPLAYER_MODE.DM_1D,
   },
 ];

diff --git a/src/component/reducer/preferences/preferencesReducer.ts b/src/component/reducer/preferences/preferencesReducer.ts
@@ -165,6 +165,10 @@ export const WORKSPACES: Array<{
     key: 'embedded',
     label: Workspaces.embedded.label,
   },
+  {
+    key: 'simulation',
+    label: Workspaces.simulation.label,
+  },
 ];
 
 export type WorkspaceWithSource = Workspace & { source: WorkSpaceSource };

diff --git a/src/component/workspaces/index.ts b/src/component/workspaces/index.ts
@@ -4,6 +4,7 @@ import { embedded } from './embedded';
 import { exercise } from './exercise';
 import { prediction } from './prediction';
 import { process1D } from './process1D';
+import { simulation } from './simulation';
 
 export default {
   exercise,
@@ -12,4 +13,5 @@ export default {
   prediction,
   assignment,
   embedded,
+  simulation,
 };
diff --git a/src/component/workspaces/simulation.ts b/src/component/workspaces/simulation.ts
@@ -0,0 +1,70 @@
+import { InnerWorkspace } from 'nmr-load-save';
+
+export const simulation: InnerWorkspace = {
+  version: 1,
+  label: 'Simulation',
+  general: {
+    dimmedSpectraOpacity: 0.5,
+    verticalSplitterPosition: '440px',
+    verticalSplitterCloseThreshold: 600,
+    spectraRendering: 'auto',
+    loggingLevel: 'info',
+  },
+  display: {
+    panels: {
+      spectraPanel: { display: true },
+      simulationPanel: { display: true, open: true },
+    },
+    toolBarButtons: {
+      exportAs: true,
+      import: true,
+      spectraCenterAlignments: true,
+      spectraStackAlignments: true,
+      zoomOut: true,
+      zoom: true,
+    },
+  },
+  formatting: {
+    nuclei: {},
+    panels: {
+      spectra: {
+        nuclei: {
+          '1H': {
+            columns: [
+              {
+                name: 'visible',
+                label: '',
+                description: 'Show/Hide Spectrum',
+                visible: true,
+              },
+              {
+                name: 'name',
+                label: 'Spectrum Name',
+                description: 'Spectrum Name',
+                jpath: ['info', 'name'],
+                visible: true,
+              },
+              {
+                label: 'Frequency',
+                description: 'frequency',
+                jpath: ['info', 'originFrequency'],
+                visible: true,
+              },
+              {
+                jpath: ['info', 'nucleus'],
+                label: 'Experiment',
+                visible: true,
+              },
+              {
+                name: 'color',
+                label: '',
+                description: 'Spectrum Color',
+                visible: true,
+              },
+            ],
+          },
+        },
+      },
+    },
+  },
+};
diff --git a/src/component/workspaces/workspaceDefaultProperties.ts b/src/component/workspaces/workspaceDefaultProperties.ts
@@ -24,6 +24,7 @@ export const workspaceDefaultProperties: Required<WorkspacePreferences> = {
       peaksPanel: { display: false, open: false },
       predictionPanel: { display: false, open: false },
       summaryPanel: { display: false, open: false },
+      simulationPanel: { display: false, open: false },
     },
     toolBarButtons: {
       baselineCorrection: false,

diff --git a/src/demo/samples.json b/src/demo/samples.json
@@ -235,6 +235,10 @@
         "title": "Prediction",
         "view": "Prediction"
       },
+      {
+        "title": "Simulation",
+        "view": "Simulation"
+      },
       {
         "title": "Metabo workspace",
         "view": "CustomWorkspace"

diff --git a/src/demo/views/Simulation.tsx b/src/demo/views/Simulation.tsx
@@ -0,0 +1,5 @@
+import View from './View';
+
+export default function Simulation(props) {
+  return <View {...props} workspace="simulation" />;
+}
diff --git a/src/demo/views/index.ts b/src/demo/views/index.ts
@@ -9,6 +9,7 @@ export const possibleViews = {
   TwoInstances: memo(lazy(() => import('./TwoInstances'))),
   Teaching: memo(lazy(() => import('./Teaching'))),
   Prediction: memo(lazy(() => import('./Prediction'))),
+  Simulation: memo(lazy(() => import('./Simulation'))),
   CustomWorkspace: memo(lazy(() => import('./CustomWorkspace'))),
   SnapshotView: memo(lazy(() => import('./SnapshotView'))),
   WebSourceView: memo(lazy(() => import('./WebSourceView'))),