react-cheminfo 0.65.0 → 0.67.0

package/lib/ir/core/irFormat.js.map

@@ -1 +1 @@
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+{"version":3,"file":"irFormat.js","sourceRoot":"","sources":["../../../src/ir/core/irFormat.ts"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,EAAE,aAAa,EAAE,MAAM,8BAA8B,CAAC;AAI7D,qDAAqD;AACrD,MAAM,CAAC,MAAM,mBAAmB,GAAG,CAAC,CAAC;AAErC,sDAAsD;AACtD,MAAM,CAAC,MAAM,sBAAsB,GAAG,CAAC,CAAC;AAExC,8DAA8D;AAC9D,MAAM,CAAC,MAAM,gBAAgB,GAAG,CAAC,CAAC;AAElC;;;;;;;;;GASG;AACH,MAAM,UAAU,gBAAgB,CAAC,UAAkB;IACjD,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,UAAU,CAAC;QAAE,OAAO,EAAE,CAAC;IAC5C,OAAO,IAAI,CAAC,KAAK,CAAC,UAAU,CAAC,CAAC,QAAQ,EAAE,CAAC;AAC3C,CAAC;AAED;;;;;;;;;;;;GAYG;AACH,MAAM,UAAU,aAAa,CAAC,KAAa,EAAE,IAAY;IACvD,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC;QAAE,OAAO,EAAE,CAAC;IACvC,MAAM,EAAE,QAAQ,EAAE,GAAG,aAAa,CAAC,IAAI,CAAC,CAAC;IACzC,OAAO,QAAQ,KAAK,SAAS;QAC3B,CAAC,CAAC,aAAa,CAAC,KAAK,EAAE,EAAE,WAAW,EAAE,gBAAgB,EAAE,CAAC;QACzD,CAAC,CAAC,KAAK,CAAC,OAAO,CAAC,QAAQ,CAAC,CAAC;AAC9B,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,cAAc,CAAC,IAAY;IACzC,OAAO,aAAa,CAAC,IAAI,CAAC,CAAC,MAAM,CAAC;AACpC,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,qBAAqB,CACnC,WAAyB,EACzB,QAAiB;IAEjB,MAAM,MAAM,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC;IAC9B,MAAM,OAAO,GAAG,WAAW,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IACnC,IAAI,MAAM,KAAK,SAAS,IAAI,OAAO,KAAK,SAAS;QAAE,OAAO,EAAE,CAAC;IAC7D,MAAM,CAAC,KAAK,EAAE,IAAI,CAAC,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC;IACvE,OAAO,GAAG,gBAAgB,CAAC,KAAK,CAAC,IAAI,gBAAgB,CAAC,IAAI,CAAC,OAAO,CAAC;AACrE,CAAC;AAED,6EAA6E;AAC7E,MAAM,aAAa,GAA0D;IAC3E,aAAa,EAAE,EAAE,MAAM,EAAE,IAAI,EAAE,QAAQ,EAAE,sBAAsB,EAAE;IACjE,UAAU,EAAE,EAAE,MAAM,EAAE,GAAG,EAAE,QAAQ,EAAE,mBAAmB,EAAE;IAC1D,SAAS,EAAE,EAAE,MAAM,EAAE,GAAG,EAAE;CAC3B,CAAC"}

package/lib/ir/core/irMode.d.ts

@@ -1,14 +1,14 @@
 /**
- * Everything that differs between reading a spectrum as absorbance and reading
- * it as percent transmittance.
+ * Everything that differs between reading a spectrum as absorbance, as percent
+ * transmittance, or — for a Raman spectrum — as intensity.
  *
- * The two are the same measurement drawn upside down, and nearly every
+ * The first two are the same measurement drawn upside down, and nearly every
  * difference between them is one of a handful of facts: what the axis is called,
  * where its baseline is, whether that baseline is held in the window, which way
  * a band points, and which zoom gestures are worth answering. Gathering them
  * here is what keeps the switch from being an `if (mode === …)` in the chart,
  * the tracker, the band marks, the zoom and the fitting separately, where they
- * would eventually disagree.
+ * would eventually disagree. Intensity is one more entry of the same facts.
  *
  * **No conversion happens here, or anywhere in this package.** `ir-spectrum`
  * adds both an absorbance and a transmittance variable to every spectrum it
@@ -18,7 +18,11 @@
  */
 import type { YAxisRules, ZoomDragMode, ZoomGestures } from '../../chart/core/chartDomain.ts';
 import type { IrMode } from './irSpectrum.ts';
-/** The two ways a spectrum is read, in the order a control offers them. */
+import type { IrTechnique } from './irTechnique.ts';
+/**
+ * The two ways an infrared spectrum is read, in the order a control offers
+ * them.
+ */
 export declare const IR_MODES: readonly IrMode[];
 /**
  * How each mode behaves, every fact in one place.
@@ -107,6 +111,22 @@ export declare const IR_MODE_RULES: {
          */
         readonly wheelZoom: true;
     };
+    readonly intensity: {
+        readonly title: "intensity";
+        /** No light scattered is a real floor, as no light absorbed is. */
+        readonly baseline: 0;
+        /** Not held in a dragged window, for the reason absorbance gives. */
+        readonly keepBaseline: false;
+        /** A Raman band stands up out of the baseline under it. */
+        readonly bandsPointDown: false;
+        /**
+         * Both drags are worth having: intensity is open at the top and its weak
+         * bands lie against zero, as absorbance's do.
+         */
+        readonly boxZoomOnly: false;
+        /** The wheel scales the axis about zero, bringing a weak band up. */
+        readonly wheelZoom: true;
+    };
 };
 /**
  * What the vertical axis is called in a mode.
@@ -152,9 +172,16 @@ export declare function boxZoomOnly(mode: IrMode): boolean;
  */
 export declare function bandsPointDown(mode: IrMode): boolean;
 /**
- * The other mode, for a control that toggles between the two.
+ * The next mode, for a control that toggles between them.
+ *
+ * It never leaves the technique: an infrared viewer goes back and forth
+ * between its two axes, and a Raman one, reading intensity alone, stays where
+ * it is.
  * @param mode - The mode in force.
- * @returns The one to switch to.
+ * @param technique - The technique whose modes are toggled through. Defaults to
+ * the one that reads `mode`.
+ * @returns The one to switch to: the technique's first when `mode` is not one
+ * of its own.
  */
-export declare function otherIrMode(mode: IrMode): IrMode;
+export declare function otherIrMode(mode: IrMode, technique?: IrTechnique): IrMode;
 //# sourceMappingURL=irMode.d.ts.map

package/lib/ir/core/irMode.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"irMode.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irMode.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;GAiBG;AAEH,OAAO,KAAK,EACV,UAAU,EACV,YAAY,EACZ,YAAY,EACb,MAAM,iCAAiC,CAAC;AAEzC,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,iBAAiB,CAAC;AAC9C,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAGpD;;;GAGG;AACH,eAAO,MAAM,QAAQ,EAAE,SAAS,MAAM,EAAsC,CAAC;AAE7E;;;;;;GAMG;AACH,eAAO,MAAM,aAAa;;QAEtB,wCAAwC;;QAExC;;;;;;;WAOG;;QAEH;;;;;;;;WAQG;;QAEH,2DAA2D;;QAE3D;;;;;;;;WAQG;;QAEH;;;;;;;;;;;;;WAaG;;;;;QAKH,0DAA0D;;QAE1D;;;;;;;WAOG;;QAEH,sDAAsD;;QAEtD;;;;;;WAMG;;QAEH;;;WAGG;;;;;QAKH,mEAAmE;;QAEnE,qEAAqE;;QAErE,2DAA2D;;QAE3D;;;WAGG;;QAEH,qEAAqE;;;CAaxE,CAAC;AAEF;;;;GAIG;AACH,wBAAgB,UAAU,CAAC,IAAI,EAAE,MAAM,GAAG,MAAM,CAE/C;AAED;;;;GAIG;AACH,wBAAgB,UAAU,CAAC,IAAI,EAAE,MAAM,GAAG,UAAU,CAMnD;AAED;;;;;;;;;;;;;GAaG;AACH,wBAAgB,YAAY,CAC1B,IAAI,EAAE,MAAM,EACZ,IAAI,GAAE,YAAsB,GAC3B,QAAQ,CAAC,YAAY,CAAC,CAQxB;AAED;;;;;;;;GAQG;AACH,wBAAgB,WAAW,CAAC,IAAI,EAAE,MAAM,GAAG,OAAO,CAEjD;AAED;;;;GAIG;AACH,wBAAgB,cAAc,CAAC,IAAI,EAAE,MAAM,GAAG,OAAO,CAEpD;AAED;;;;;;;;;;;GAWG;AACH,wBAAgB,WAAW,CACzB,IAAI,EAAE,MAAM,EACZ,SAAS,GAAE,WAAmC,GAC7C,MAAM,CAGR"}

package/lib/ir/core/irMode.js

@@ -1,14 +1,14 @@
 /**
- * Everything that differs between reading a spectrum as absorbance and reading
- * it as percent transmittance.
+ * Everything that differs between reading a spectrum as absorbance, as percent
+ * transmittance, or — for a Raman spectrum — as intensity.
  *
- * The two are the same measurement drawn upside down, and nearly every
+ * The first two are the same measurement drawn upside down, and nearly every
  * difference between them is one of a handful of facts: what the axis is called,
  * where its baseline is, whether that baseline is held in the window, which way
  * a band points, and which zoom gestures are worth answering. Gathering them
  * here is what keeps the switch from being an `if (mode === …)` in the chart,
  * the tracker, the band marks, the zoom and the fitting separately, where they
- * would eventually disagree.
+ * would eventually disagree. Intensity is one more entry of the same facts.
  *
  * **No conversion happens here, or anywhere in this package.** `ir-spectrum`
  * adds both an absorbance and a transmittance variable to every spectrum it
@@ -16,8 +16,12 @@
  * its business and is done once at the point the file is understood. A second
  * implementation here would be a second answer.
  */
-/** The two ways a spectrum is read, in the order a control offers them. */
-export const IR_MODES = ['transmittance', 'absorbance'];
+import { IR_TECHNIQUE_RULES, irModeTechnique } from "./irTechnique.js";
+/**
+ * The two ways an infrared spectrum is read, in the order a control offers
+ * them.
+ */
+export const IR_MODES = IR_TECHNIQUE_RULES.infrared.modes;
 /**
  * How each mode behaves, every fact in one place.
  *
@@ -105,6 +109,22 @@ export const IR_MODE_RULES = {
          */
         wheelZoom: true,
     },
+    intensity: {
+        title: 'intensity',
+        /** No light scattered is a real floor, as no light absorbed is. */
+        baseline: 0,
+        /** Not held in a dragged window, for the reason absorbance gives. */
+        keepBaseline: false,
+        /** A Raman band stands up out of the baseline under it. */
+        bandsPointDown: false,
+        /**
+         * Both drags are worth having: intensity is open at the top and its weak
+         * bands lie against zero, as absorbance's do.
+         */
+        boxZoomOnly: false,
+        /** The wheel scales the axis about zero, bringing a weak band up. */
+        wheelZoom: true,
+    },
 };
 /**
  * What the vertical axis is called in a mode.
@@ -170,11 +190,19 @@ export function bandsPointDown(mode) {
     return IR_MODE_RULES[mode].bandsPointDown;
 }
 /**
- * The other mode, for a control that toggles between the two.
+ * The next mode, for a control that toggles between them.
+ *
+ * It never leaves the technique: an infrared viewer goes back and forth
+ * between its two axes, and a Raman one, reading intensity alone, stays where
+ * it is.
  * @param mode - The mode in force.
- * @returns The one to switch to.
+ * @param technique - The technique whose modes are toggled through. Defaults to
+ * the one that reads `mode`.
+ * @returns The one to switch to: the technique's first when `mode` is not one
+ * of its own.
  */
-export function otherIrMode(mode) {
-    return mode === 'absorbance' ? 'transmittance' : 'absorbance';
+export function otherIrMode(mode, technique = irModeTechnique(mode)) {
+    const modes = IR_TECHNIQUE_RULES[technique].modes;
+    return modes[(modes.indexOf(mode) + 1) % modes.length] ?? mode;
 }
 //# sourceMappingURL=irMode.js.map

package/lib/ir/core/irMode.js.map

@@ -1 +1 @@
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package/lib/ir/core/irReducer.d.ts

@@ -12,7 +12,7 @@
  * selecting the spectrum already selected, closing an error that is already
  * closed.
  */
-import type { IrSidePanelId } from './irSidePanels.ts';
+import type { IrPanelId } from './irSidePanels.ts';
 import type { IrDomain, IrSpectrum } from './irSpectrum.ts';
 import type { IrSettings, IrState, IrTool, PartialIrState } from './irState.ts';
 /** Everything that can be asked of the viewer. */
@@ -50,7 +50,7 @@ export type IrAction = {
     tool: IrTool;
 } | {
     type: 'togglePanel';
-    panelId: IrSidePanelId;
+    panelId: IrPanelId;
 } | {
     type: 'setError';
     error: string | null;
@@ -63,34 +63,6 @@ export type IrAction = {
 } | {
     type: 'clear';
 };
-/** What a viewer opens on. */
-export interface CreateIrStateOptions {
-    /**
-     * The spectra to open on.
-     * @default []
-     */
-    spectra?: IrSpectrum[];
-    /**
-     * The workspace to open in.
-     * @default DEFAULT_SETTINGS
-     */
-    settings?: Partial<IrSettings>;
-    /**
-     * The panels open to begin with.
-     * @default DEFAULT_SIDE_PANELS
-     */
-    panelIds?: IrSidePanelId[];
-}
-/**
- * The state a viewer opens with.
- *
- * The panel list is spread rather than stored by reference: a caller's array is
- * the caller's to mutate, and a viewer holding it would find its open panels
- * changing under it.
- * @param options - What it opens on.
- * @returns The state.
- */
-export declare function createIrState(options?: CreateIrStateOptions): IrState;
 /**
  * Fold one action into the state.
  * @param state - The state in force.

package/lib/ir/core/irReducer.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"irReducer.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irReducer.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AACvD,OAAO,KAAK,EAAE,QAAQ,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAC5D,OAAO,KAAK,EAAE,UAAU,EAAE,OAAO,EAAE,MAAM,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAQhF,kDAAkD;AAClD,MAAM,MAAM,QAAQ,GAChB;IAAE,IAAI,EAAE,YAAY,CAAC;IAAC,OAAO,EAAE,UAAU,EAAE,CAAA;CAAE,GAC7C;IAAE,IAAI,EAAE,YAAY,CAAC;IAAC,OAAO,EAAE,UAAU,EAAE,CAAA;CAAE,GAC7C;IAAE,IAAI,EAAE,gBAAgB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAA;CAAE,GACtC;IAAE,IAAI,EAAE,gBAAgB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GACpD;IAAE,IAAI,EAAE,kBAAkB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAC;IAAC,KAAK,EAAE,MAAM,CAAA;CAAE,GACvD;IAAE,IAAI,EAAE,oBAAoB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAC;IAAC,OAAO,EAAE,OAAO,CAAA;CAAE,GAC5D;IAAE,IAAI,EAAE,gBAAgB,CAAC;IAAC,EAAE,EAAE,MAAM,GAAG,IAAI,CAAA;CAAE,GAC7C;IAAE,IAAI,EAAE,WAAW,CAAC;IAAC,MAAM,EAAE,QAAQ,CAAA;CAAE,GACvC;IAAE,IAAI,EAAE,aAAa,CAAA;CAAE,GACvB;IAAE,IAAI,EAAE,SAAS,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GACjC;IAAE,IAAI,EAAE,aAAa,CAAC;IAAC,OAAO,EAAE,aAAa,CAAA;CAAE,GAC/C;IAAE,IAAI,EAAE,UAAU,CAAC;IAAC,KAAK,EAAE,MAAM,GAAG,IAAI,CAAA;CAAE,GAC1C;IAAE,IAAI,EAAE,aAAa,CAAC;IAAC,QAAQ,EAAE,OAAO,CAAC,UAAU,CAAC,CAAA;CAAE,GACtD;IAAE,IAAI,EAAE,WAAW,CAAC;IAAC,KAAK,EAAE,cAAc,CAAA;CAAE,GAC5C;IAAE,IAAI,EAAE,OAAO,CAAA;CAAE,CAAC;AAEtB,8BAA8B;AAC9B,MAAM,WAAW,oBAAoB;IACnC;;;OAGG;IACH,OAAO,CAAC,EAAE,UAAU,EAAE,CAAC;IACvB;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC,UAAU,CAAC,CAAC;IAC/B;;;OAGG;IACH,QAAQ,CAAC,EAAE,aAAa,EAAE,CAAC;CAC5B;AAED;;;;;;;;GAQG;AACH,wBAAgB,aAAa,CAAC,OAAO,GAAE,oBAAyB,GAAG,OAAO,CAazE;AAED;;;;;GAKG;AACH,wBAAgB,SAAS,CAAC,KAAK,EAAE,OAAO,EAAE,MAAM,EAAE,QAAQ,GAAG,OAAO,CAmJnE"}
+{"version":3,"file":"irReducer.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irReducer.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;GAaG;AAEH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,mBAAmB,CAAC;AACnD,OAAO,KAAK,EAAE,QAAQ,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAC5D,OAAO,KAAK,EAAE,UAAU,EAAE,OAAO,EAAE,MAAM,EAAE,cAAc,EAAE,MAAM,cAAc,CAAC;AAGhF,kDAAkD;AAClD,MAAM,MAAM,QAAQ,GAChB;IAAE,IAAI,EAAE,YAAY,CAAC;IAAC,OAAO,EAAE,UAAU,EAAE,CAAA;CAAE,GAC7C;IAAE,IAAI,EAAE,YAAY,CAAC;IAAC,OAAO,EAAE,UAAU,EAAE,CAAA;CAAE,GAC7C;IAAE,IAAI,EAAE,gBAAgB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAA;CAAE,GACtC;IAAE,IAAI,EAAE,gBAAgB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GACpD;IAAE,IAAI,EAAE,kBAAkB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAC;IAAC,KAAK,EAAE,MAAM,CAAA;CAAE,GACvD;IAAE,IAAI,EAAE,oBAAoB,CAAC;IAAC,EAAE,EAAE,MAAM,CAAC;IAAC,OAAO,EAAE,OAAO,CAAA;CAAE,GAC5D;IAAE,IAAI,EAAE,gBAAgB,CAAC;IAAC,EAAE,EAAE,MAAM,GAAG,IAAI,CAAA;CAAE,GAC7C;IAAE,IAAI,EAAE,WAAW,CAAC;IAAC,MAAM,EAAE,QAAQ,CAAA;CAAE,GACvC;IAAE,IAAI,EAAE,aAAa,CAAA;CAAE,GACvB;IAAE,IAAI,EAAE,SAAS,CAAC;IAAC,IAAI,EAAE,MAAM,CAAA;CAAE,GACjC;IAAE,IAAI,EAAE,aAAa,CAAC;IAAC,OAAO,EAAE,SAAS,CAAA;CAAE,GAC3C;IAAE,IAAI,EAAE,UAAU,CAAC;IAAC,KAAK,EAAE,MAAM,GAAG,IAAI,CAAA;CAAE,GAC1C;IAAE,IAAI,EAAE,aAAa,CAAC;IAAC,QAAQ,EAAE,OAAO,CAAC,UAAU,CAAC,CAAA;CAAE,GACtD;IAAE,IAAI,EAAE,WAAW,CAAC;IAAC,KAAK,EAAE,cAAc,CAAA;CAAE,GAC5C;IAAE,IAAI,EAAE,OAAO,CAAA;CAAE,CAAC;AAEtB;;;;;GAKG;AACH,wBAAgB,SAAS,CAAC,KAAK,EAAE,OAAO,EAAE,MAAM,EAAE,QAAQ,GAAG,OAAO,CAmJnE"}

package/lib/ir/core/irReducer.js

@@ -12,30 +12,7 @@
  * selecting the spectrum already selected, closing an error that is already
  * closed.
  */
-import { DEFAULT_SETTINGS, DEFAULT_SIDE_PANELS, isIrWindow, mergeIrSettings, } from "./irState.js";
-/**
- * The state a viewer opens with.
- *
- * The panel list is spread rather than stored by reference: a caller's array is
- * the caller's to mutate, and a viewer holding it would find its open panels
- * changing under it.
- * @param options - What it opens on.
- * @returns The state.
- */
-export function createIrState(options = {}) {
-    const { spectra = [], settings, panelIds } = options;
-    return {
-        data: { spectra: [...spectra] },
-        view: {
-            selectedId: spectra[0]?.id ?? null,
-            domain: null,
-            tool: 'read',
-            openPanelIds: [...(panelIds ?? DEFAULT_SIDE_PANELS)],
-            error: null,
-        },
-        settings: mergeIrSettings(DEFAULT_SETTINGS, settings),
-    };
-}
+import { isIrWindow, mergeIrSettings } from "./irState.js";
 /**
  * Fold one action into the state.
  * @param state - The state in force.

package/lib/ir/core/irReducer.js.map

@@ -1 +1 @@
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package/lib/ir/core/irSidePanels.d.ts

@@ -17,6 +17,12 @@ export declare const irSidePanels: readonly [{
     readonly title: "Acquisition";
     readonly icon: "properties";
 }];
-/** Identity of one of the panels the activity bar offers. */
+/** Identity of one of the panels the viewer offers of its own. */
 export type IrSidePanelId = (typeof irSidePanels)[number]['id'];
+/**
+ * Identity of any panel the side can hold: one of the viewer's own, or one a
+ * host added to them. Still a union with the viewer's own ids, so those keep
+ * autocompleting where a plain `string` would swallow them.
+ */
+export type IrPanelId = IrSidePanelId | (string & Record<never, never>);
 //# sourceMappingURL=irSidePanels.d.ts.map

package/lib/ir/core/irSidePanels.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"irSidePanels.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irSidePanels.ts"],"names":[],"mappings":"AAEA;;;;;GAKG;AACH,eAAO,MAAM,YAAY;;;;;;;;;;;;EAQvB,CAAC;AAEH,6DAA6D;AAC7D,MAAM,MAAM,aAAa,GAAG,CAAC,OAAO,YAAY,CAAC,CAAC,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC"}
+{"version":3,"file":"irSidePanels.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irSidePanels.ts"],"names":[],"mappings":"AAEA;;;;;GAKG;AACH,eAAO,MAAM,YAAY;;;;;;;;;;;;EAQvB,CAAC;AAEH,kEAAkE;AAClE,MAAM,MAAM,aAAa,GAAG,CAAC,OAAO,YAAY,CAAC,CAAC,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC;AAEhE;;;;GAIG;AACH,MAAM,MAAM,SAAS,GAAG,aAAa,GAAG,CAAC,MAAM,GAAG,MAAM,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC,CAAC"}

package/lib/ir/core/irSpectrum.d.ts

@@ -1,17 +1,22 @@
 /**
- * What an infrared spectrum is once it has been read, whatever it was read from.
+ * What a vibrational spectrum is once it has been read, whatever it was read
+ * from.
  *
- * One acquisition becomes one `IrSpectrum` carrying **both** value axes —
- * absorbance and percent transmittance — over one shared array of wavenumbers.
- * Both are held rather than one being derived on demand because `ir-spectrum`
- * already produces both when it reads a file: it adds an `a` and a `t` variable
- * to every spectrum whichever of the two the instrument wrote, so the conversion
- * happens once, in the one place that knows what the file's y axis meant. Holding
- * the answer means switching what is drawn costs nothing, and means the two
- * axes can never drift apart through a round trip.
+ * One infrared acquisition becomes one `IrSpectrum` carrying **both** value
+ * axes — absorbance and percent transmittance — over one shared array of
+ * wavenumbers. Both are held rather than one being derived on demand because
+ * `ir-spectrum` already produces both when it reads a file: it adds an `a` and
+ * a `t` variable to every spectrum whichever of the two the instrument wrote, so
+ * the conversion happens once, in the one place that knows what the file's y
+ * axis meant. Holding the answer means switching what is drawn costs nothing,
+ * and means the two axes can never drift apart through a round trip.
+ *
+ * A Raman acquisition carries its intensity instead, over its Raman shifts —
+ * also wavenumbers in cm⁻¹ — and neither infrared axis: there is no
+ * transmittance of scattered light to convert it to.
  *
  * The arrays are `Float64Array` and are replaced on a change, never written
- * into, since every consumer holds the same object by reference. An infrared
+ * into, since every consumer holds the same object by reference. A vibrational
  * spectrum is a few thousand points rather than a mass spectrum's few hundred
  * thousand, so holding two value axes costs nothing worth counting.
  */
@@ -26,8 +31,11 @@ import type { ChartDomain } from '../../chart/core/chartDomain.ts';
  * adapter at each boundary.
  */
 export type IrTrace = DataXY<Float64Array>;
-/** The formats a spectrum can have been read from. */
-export type IrFormat = 'jcamp' | 'spc' | 'text' | 'calculated';
+/**
+ * The formats a spectrum can have been read from. `wdf` is Renishaw's Raman
+ * format, which a host reads with its own parser and hands over.
+ */
+export type IrFormat = 'jcamp' | 'spc' | 'text' | 'wdf' | 'calculated';
 /**
  * Where a spectrum came from, and what the file said about the acquisition.
  *
@@ -79,8 +87,11 @@ export interface IrMeta {
     /** The fields that are populated, in display order. */
     fields: IrMetaField[];
 }
-/** Which value axis is being drawn and read. */
-export type IrMode = 'absorbance' | 'transmittance';
+/**
+ * Which value axis is being drawn and read: absorbance or percent
+ * transmittance for an infrared spectrum, intensity for a Raman one.
+ */
+export type IrMode = 'absorbance' | 'transmittance' | 'intensity';
 /** One spectrum as the viewer holds it. */
 export interface IrSpectrum {
     /** Identity, stable across edits so a selection survives a rename. */
@@ -90,19 +101,33 @@ export interface IrSpectrum {
     /** The colour it is drawn in. */
     color: string;
     /**
-     * The wavenumbers in cm⁻¹, **ascending**.
+     * The wavenumbers in cm⁻¹, **ascending** — of the light absorbed for an
+     * infrared spectrum, the Raman shift for a Raman one.
      *
-     * Ascending even though the axis is read from 4000 down to 400: which way the
-     * numbers run on screen is the chart's business, and every binary search and
-     * every extent taken off index zero downstream wants them in order. Reversing
-     * the data instead would make the drawing simpler once and everything else
-     * wrong.
+     * Ascending even though the infrared axis is read from 4000 down to 400:
+     * which way the numbers run on screen is the chart's business, and every
+     * binary search and every extent taken off index zero downstream wants them in
+     * order. Reversing the data instead would make the drawing simpler once and
+     * everything else wrong.
      */
     wavenumber: Float64Array;
-    /** Absorbance at each wavenumber, as `ir-spectrum` supplied it. */
-    absorbance: Float64Array;
-    /** Percent transmittance at each wavenumber, likewise. */
-    transmittance: Float64Array;
+    /**
+     * Absorbance at each wavenumber, as `ir-spectrum` supplied it. An infrared
+     * spectrum carries it beside `transmittance`.
+     * @default undefined
+     */
+    absorbance?: Float64Array;
+    /**
+     * Percent transmittance at each wavenumber, likewise.
+     * @default undefined
+     */
+    transmittance?: Float64Array;
+    /**
+     * Intensity at each Raman shift, which a Raman spectrum carries instead of
+     * the two infrared axes.
+     * @default undefined
+     */
+    intensity?: Float64Array;
     /** What the file said about the acquisition, `null` when it said nothing. */
     meta: IrMeta | null;
     /** Where it came from. */
@@ -134,7 +159,8 @@ export type IrDomain = ChartDomain;
  * render of every spectrum is a copy per frame for no gain.
  * @param spectrum - The spectrum.
  * @param mode - Which value axis is being drawn.
- * @returns The trace, sharing the spectrum's own arrays.
+ * @returns The trace, sharing the spectrum's own arrays, or `undefined` when the
+ * spectrum carries no such axis — a Raman spectrum has no absorbance.
  */
-export declare function traceOf(spectrum: IrSpectrum, mode: IrMode): IrTrace;
+export declare function traceOf(spectrum: IrSpectrum, mode: IrMode): IrTrace | undefined;
 //# sourceMappingURL=irSpectrum.d.ts.map

package/lib/ir/core/irSpectrum.d.ts.map

@@ -1 +1 @@
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package/lib/ir/core/irSpectrum.js

@@ -1,17 +1,22 @@
 /**
- * What an infrared spectrum is once it has been read, whatever it was read from.
+ * What a vibrational spectrum is once it has been read, whatever it was read
+ * from.
  *
- * One acquisition becomes one `IrSpectrum` carrying **both** value axes —
- * absorbance and percent transmittance — over one shared array of wavenumbers.
- * Both are held rather than one being derived on demand because `ir-spectrum`
- * already produces both when it reads a file: it adds an `a` and a `t` variable
- * to every spectrum whichever of the two the instrument wrote, so the conversion
- * happens once, in the one place that knows what the file's y axis meant. Holding
- * the answer means switching what is drawn costs nothing, and means the two
- * axes can never drift apart through a round trip.
+ * One infrared acquisition becomes one `IrSpectrum` carrying **both** value
+ * axes — absorbance and percent transmittance — over one shared array of
+ * wavenumbers. Both are held rather than one being derived on demand because
+ * `ir-spectrum` already produces both when it reads a file: it adds an `a` and
+ * a `t` variable to every spectrum whichever of the two the instrument wrote, so
+ * the conversion happens once, in the one place that knows what the file's y
+ * axis meant. Holding the answer means switching what is drawn costs nothing,
+ * and means the two axes can never drift apart through a round trip.
+ *
+ * A Raman acquisition carries its intensity instead, over its Raman shifts —
+ * also wavenumbers in cm⁻¹ — and neither infrared axis: there is no
+ * transmittance of scattered light to convert it to.
  *
  * The arrays are `Float64Array` and are replaced on a change, never written
- * into, since every consumer holds the same object by reference. An infrared
+ * into, since every consumer holds the same object by reference. A vibrational
  * spectrum is a few thousand points rather than a mass spectrum's few hundred
  * thousand, so holding two value axes costs nothing worth counting.
  */
@@ -23,12 +28,13 @@
  * render of every spectrum is a copy per frame for no gain.
  * @param spectrum - The spectrum.
  * @param mode - Which value axis is being drawn.
- * @returns The trace, sharing the spectrum's own arrays.
+ * @returns The trace, sharing the spectrum's own arrays, or `undefined` when the
+ * spectrum carries no such axis — a Raman spectrum has no absorbance.
  */
 export function traceOf(spectrum, mode) {
-    return {
-        x: spectrum.wavenumber,
-        y: mode === 'absorbance' ? spectrum.absorbance : spectrum.transmittance,
-    };
+    const values = spectrum[mode];
+    return values === undefined
+        ? undefined
+        : { x: spectrum.wavenumber, y: values };
 }
 //# sourceMappingURL=irSpectrum.js.map

package/lib/ir/core/irSpectrum.js.map

@@ -1 +1 @@
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+{"version":3,"file":"irSpectrum.js","sourceRoot":"","sources":["../../../src/ir/core/irSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;;;;;GAqBG;AA+IH;;;;;;;;;;GAUG;AACH,MAAM,UAAU,OAAO,CACrB,QAAoB,EACpB,IAAY;IAEZ,MAAM,MAAM,GAAG,QAAQ,CAAC,IAAI,CAAC,CAAC;IAC9B,OAAO,MAAM,KAAK,SAAS;QACzB,CAAC,CAAC,SAAS;QACX,CAAC,CAAC,EAAE,CAAC,EAAE,QAAQ,CAAC,UAAU,EAAE,CAAC,EAAE,MAAM,EAAE,CAAC;AAC5C,CAAC"}

package/lib/ir/core/irState.d.ts

@@ -12,8 +12,9 @@
  * kept in step with its own inputs — `useIrEditor` recomputes them instead, and
  * a stale band is then impossible rather than merely unlikely.
  */
-import type { IrSidePanelId } from './irSidePanels.ts';
+import type { IrPanelId, IrSidePanelId } from './irSidePanels.ts';
 import type { IrDomain, IrMode, IrSpectrum } from './irSpectrum.ts';
+import type { IrTechnique } from './irTechnique.ts';
 import type { PickBandsOptions } from './pickBands.ts';
 /** The document: what a file holds. */
 export interface IrData {
@@ -36,14 +37,22 @@ export interface IrView {
     domain: IrDomain | null;
     /** Which tool a drag across the chart is running. */
     tool: IrTool;
-    /** The side panels that are open, in the order their icons are stacked. */
-    openPanelIds: IrSidePanelId[];
+    /**
+     * The side panels that are open: the viewer's own and any a host added. An id
+     * no panel on offer answers to opens nothing.
+     */
+    openPanelIds: IrPanelId[];
     /** Why the last action was refused, `null` as soon as one succeeds. */
     error: string | null;
 }
 /** The workspace: how every spectrum is drawn, whichever ones are open. */
 export interface IrSettings {
-    /** Which value axis the spectra are read in. */
+    /**
+     * What the spectra were measured with. Chosen when the viewer opens and fixed
+     * from then on: a change asking for another is ignored.
+     */
+    technique: IrTechnique;
+    /** Which value axis the spectra are read in, always one the technique offers. */
     mode: IrMode;
     /** Whether the bands are picked at all. */
     pickBands: boolean;
@@ -92,6 +101,36 @@ export declare const DEFAULT_LABEL_LIMIT = 12;
 export declare const DEFAULT_PICKING: PickBandsOptions;
 /** The workspace a fresh viewer starts from. */
 export declare const DEFAULT_SETTINGS: IrSettings;
+/** What a viewer opens on. */
+export interface CreateIrStateOptions {
+    /**
+     * The spectra to open on.
+     * @default []
+     */
+    spectra?: IrSpectrum[];
+    /**
+     * The workspace to open in. Its `technique` is fixed for the life of the
+     * viewer, and its `mode` falls back to the technique's first when the
+     * technique does not offer it.
+     * @default DEFAULT_SETTINGS
+     */
+    settings?: Partial<IrSettings>;
+    /**
+     * The panels open to begin with, the viewer's own or a host's.
+     * @default DEFAULT_SIDE_PANELS
+     */
+    panelIds?: readonly IrPanelId[];
+}
+/**
+ * The state a viewer opens with.
+ *
+ * The panel list is spread rather than stored by reference: a caller's array is
+ * the caller's to mutate, and a viewer holding it would find its open panels
+ * changing under it.
+ * @param options - What it opens on.
+ * @returns The state.
+ */
+export declare function createIrState(options?: CreateIrStateOptions): IrState;
 /**
  * Fold a change into the workspace, refusing what no chart survives.
  *
@@ -99,7 +138,9 @@ export declare const DEFAULT_SETTINGS: IrSettings;
  * not yet a number — a lone minus sign, an empty box — and a limit of `NaN`
  * silently stops every label being drawn. So each is checked, and the current
  * value is kept where the new one is unusable rather than the field being
- * fought with while it is being typed in.
+ * fought with while it is being typed in. The technique is never changed, and a
+ * mode it does not offer is refused the same way: a Raman spectrum has no
+ * absorbance to draw.
  * @param current - The workspace in force.
  * @param change - What to change about it.
  * @returns The new workspace.

package/lib/ir/core/irState.d.ts.map

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