react-cheminfo 0.64.1 → 0.66.0

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

@@ -0,0 +1,94 @@
+/**
+ * Everything that differs between an infrared spectrum and a Raman one.
+ *
+ * Both are vibrational spectra over wavenumbers in cm⁻¹, and the viewer reads
+ * them the same way — one chart, one set of panels, one set of gestures — so
+ * what is left to differ is a handful of facts: which value axes a spectrum is
+ * read on, what the horizontal axis is called and which way it runs, whether the
+ * correlation table has anything to say about a band, and what a written file
+ * calls itself. They are gathered here for the reason `IR_MODE_RULES` gathers
+ * what differs between the value axes: a component that asked which technique
+ * it was drawing would be the first of many to ask, and they would come to
+ * disagree.
+ */
+import type { IrMode } from './irSpectrum.ts';
+/** What was measured: the light a sample absorbs, or the light it scatters. */
+export type IrTechnique = 'infrared' | 'raman';
+/** What is true of one technique. */
+export interface IrTechniqueRules {
+    /** How it is written inside a sentence; a sentence opening on it capitalises it. */
+    name: string;
+    /** The value axes a spectrum is read on, in the order a control offers them. */
+    modes: readonly IrMode[];
+    /** What the horizontal axis is called. */
+    xTitle: string;
+    /** Whether the horizontal axis runs from high at the left to low at the right. */
+    reverseX: boolean;
+    /** Whether the correlation table is asked what a band might be. */
+    assignments: boolean;
+    /** The `##DATA TYPE=` a written spectrum states when its file stated none. */
+    dataType: string;
+}
+/** The techniques, in the order a control would offer them. */
+export declare const IR_TECHNIQUES: readonly IrTechnique[];
+/** How each technique behaves, every fact in one place. */
+export declare const IR_TECHNIQUE_RULES: {
+    readonly infrared: {
+        readonly name: "infrared";
+        readonly modes: readonly ["transmittance", "absorbance"];
+        readonly xTitle: "wavenumber (cm⁻¹)";
+        /**
+         * 4000 at the left and 400 at the right, which is how every infrared
+         * spectrum has been printed since the instruments scanned that way.
+         */
+        readonly reverseX: true;
+        readonly assignments: true;
+        readonly dataType: "INFRARED SPECTRUM";
+    };
+    readonly raman: {
+        readonly name: "Raman";
+        /** One axis: a Raman spectrum is the light scattered, and nothing else. */
+        readonly modes: readonly ["intensity"];
+        readonly xTitle: "Raman shift (cm⁻¹)";
+        /** The shift grows away from the laser line, left to right. */
+        readonly reverseX: false;
+        /**
+         * The table holds infrared group frequencies and infrared strengths. A
+         * vibration strong in one technique is often weak or silent in the other,
+         * so its candidates offered for a Raman band would claim what the table
+         * does not know.
+         */
+        readonly assignments: false;
+        readonly dataType: "RAMAN SPECTRUM";
+    };
+};
+/**
+ * The value axis a viewer of a technique opens on.
+ * @param technique - What was measured.
+ * @returns Its first mode.
+ */
+export declare function defaultIrMode(technique: IrTechnique): IrMode;
+/**
+ * Whether a technique reads its spectra on a value axis.
+ * @param technique - What was measured.
+ * @param mode - The axis asked about; `undefined` is offered by none.
+ * @returns Whether the technique offers it.
+ */
+export declare function offersIrMode(technique: IrTechnique, mode: IrMode | undefined): mode is IrMode;
+/**
+ * The value axis to read a technique's spectra on, given the one asked for.
+ * @param technique - What was measured.
+ * @param mode - The axis asked for, if any.
+ * @returns It when the technique offers it, the technique's first otherwise.
+ */
+export declare function irModeFor(technique: IrTechnique, mode?: IrMode): IrMode;
+/**
+ * The technique that reads its spectra on a value axis.
+ *
+ * Every axis belongs to exactly one technique, so the axis a file was written
+ * on says what was measured.
+ * @param mode - The value axis.
+ * @returns The technique offering it.
+ */
+export declare function irModeTechnique(mode: IrMode): IrTechnique;
+//# sourceMappingURL=irTechnique.d.ts.map

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

@@ -0,0 +1 @@
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package/lib/ir/core/irTechnique.js

@@ -0,0 +1,87 @@
+/**
+ * Everything that differs between an infrared spectrum and a Raman one.
+ *
+ * Both are vibrational spectra over wavenumbers in cm⁻¹, and the viewer reads
+ * them the same way — one chart, one set of panels, one set of gestures — so
+ * what is left to differ is a handful of facts: which value axes a spectrum is
+ * read on, what the horizontal axis is called and which way it runs, whether the
+ * correlation table has anything to say about a band, and what a written file
+ * calls itself. They are gathered here for the reason `IR_MODE_RULES` gathers
+ * what differs between the value axes: a component that asked which technique
+ * it was drawing would be the first of many to ask, and they would come to
+ * disagree.
+ */
+/** The techniques, in the order a control would offer them. */
+export const IR_TECHNIQUES = ['infrared', 'raman'];
+/** How each technique behaves, every fact in one place. */
+export const IR_TECHNIQUE_RULES = {
+    infrared: {
+        name: 'infrared',
+        modes: ['transmittance', 'absorbance'],
+        xTitle: 'wavenumber (cm⁻¹)',
+        /**
+         * 4000 at the left and 400 at the right, which is how every infrared
+         * spectrum has been printed since the instruments scanned that way.
+         */
+        reverseX: true,
+        assignments: true,
+        dataType: 'INFRARED SPECTRUM',
+    },
+    raman: {
+        name: 'Raman',
+        /** One axis: a Raman spectrum is the light scattered, and nothing else. */
+        modes: ['intensity'],
+        xTitle: 'Raman shift (cm⁻¹)',
+        /** The shift grows away from the laser line, left to right. */
+        reverseX: false,
+        /**
+         * The table holds infrared group frequencies and infrared strengths. A
+         * vibration strong in one technique is often weak or silent in the other,
+         * so its candidates offered for a Raman band would claim what the table
+         * does not know.
+         */
+        assignments: false,
+        dataType: 'RAMAN SPECTRUM',
+    },
+};
+/**
+ * The value axis a viewer of a technique opens on.
+ * @param technique - What was measured.
+ * @returns Its first mode.
+ */
+export function defaultIrMode(technique) {
+    return IR_TECHNIQUE_RULES[technique].modes[0];
+}
+/**
+ * Whether a technique reads its spectra on a value axis.
+ * @param technique - What was measured.
+ * @param mode - The axis asked about; `undefined` is offered by none.
+ * @returns Whether the technique offers it.
+ */
+export function offersIrMode(technique, mode) {
+    if (mode === undefined)
+        return false;
+    const modes = IR_TECHNIQUE_RULES[technique].modes;
+    return modes.includes(mode);
+}
+/**
+ * The value axis to read a technique's spectra on, given the one asked for.
+ * @param technique - What was measured.
+ * @param mode - The axis asked for, if any.
+ * @returns It when the technique offers it, the technique's first otherwise.
+ */
+export function irModeFor(technique, mode) {
+    return offersIrMode(technique, mode) ? mode : defaultIrMode(technique);
+}
+/**
+ * The technique that reads its spectra on a value axis.
+ *
+ * Every axis belongs to exactly one technique, so the axis a file was written
+ * on says what was measured.
+ * @param mode - The value axis.
+ * @returns The technique offering it.
+ */
+export function irModeTechnique(mode) {
+    return offersIrMode('raman', mode) ? 'raman' : 'infrared';
+}
+//# sourceMappingURL=irTechnique.js.map

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

@@ -0,0 +1 @@
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package/lib/ir/core/irTechniqueCommands.d.ts

@@ -0,0 +1,26 @@
+/**
+ * The commands each technique's viewer offers.
+ *
+ * A Raman viewer offers the infrared table less the commands with nothing to
+ * act on — one value axis is nothing to toggle, and no assignment is nothing to
+ * name — and words the rest without the absorbance and transmittance it does
+ * not have. It is built from the infrared table, so a command added there
+ * reaches both.
+ */
+import type { IrCommandId, IrCommandTable } from './irCommands.ts';
+import type { IrTechnique } from './irTechnique.ts';
+/**
+ * Whether a viewer of a technique offers a command at all.
+ * @param technique - What was measured.
+ * @param id - Which command.
+ * @returns False for the toggle of a technique with one value axis, and for
+ * the assignments of one the correlation table says nothing about.
+ */
+export declare function irCommandOffered(technique: IrTechnique, id: IrCommandId): boolean;
+/**
+ * Everything a viewer of a technique offers, in the order it is reached for.
+ * @param technique - What was measured.
+ * @returns The table; for infrared, `irCommands` itself.
+ */
+export declare function irCommandsFor(technique: IrTechnique): IrCommandTable;
+//# sourceMappingURL=irTechniqueCommands.d.ts.map

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

@@ -0,0 +1 @@
+{"version":3,"file":"irTechniqueCommands.d.ts","sourceRoot":"","sources":["../../../src/ir/core/irTechniqueCommands.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAa,WAAW,EAAE,cAAc,EAAE,MAAM,iBAAiB,CAAC;AAE9E,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAGpD;;;;;;GAMG;AACH,wBAAgB,gBAAgB,CAC9B,SAAS,EAAE,WAAW,EACtB,EAAE,EAAE,WAAW,GACd,OAAO,CAKT;AAED;;;;GAIG;AACH,wBAAgB,aAAa,CAAC,SAAS,EAAE,WAAW,GAAG,cAAc,CAEpE"}

package/lib/ir/core/irTechniqueCommands.js

@@ -0,0 +1,68 @@
+/**
+ * The commands each technique's viewer offers.
+ *
+ * A Raman viewer offers the infrared table less the commands with nothing to
+ * act on — one value axis is nothing to toggle, and no assignment is nothing to
+ * name — and words the rest without the absorbance and transmittance it does
+ * not have. It is built from the infrared table, so a command added there
+ * reaches both.
+ */
+import { irCommands } from "./irCommands.js";
+import { IR_TECHNIQUE_RULES } from "./irTechnique.js";
+/**
+ * Whether a viewer of a technique offers a command at all.
+ * @param technique - What was measured.
+ * @param id - Which command.
+ * @returns False for the toggle of a technique with one value axis, and for
+ * the assignments of one the correlation table says nothing about.
+ */
+export function irCommandOffered(technique, id) {
+    const { modes, assignments } = IR_TECHNIQUE_RULES[technique];
+    if (id === 'toggleMode')
+        return modes.length > 1;
+    if (id === 'toggleAssignments')
+        return assignments;
+    return true;
+}
+/**
+ * Everything a viewer of a technique offers, in the order it is reached for.
+ * @param technique - What was measured.
+ * @returns The table; for infrared, `irCommands` itself.
+ */
+export function irCommandsFor(technique) {
+    return COMMAND_TABLES[technique];
+}
+/** Where the chart is, for a gesture made anywhere on it. */
+const OVER_THE_CHART = 'Over the chart';
+/** How a Raman viewer words the commands it shares with infrared. */
+const RAMAN_WORDING = {
+    about: { title: 'About the Raman viewer' },
+    documentation: {
+        description: 'How the bands are read, and every gesture.',
+    },
+    readTool: {
+        description: 'A drag narrows the Raman shift axis. Released past the baseline, it takes the intensity axis with it.',
+        gestures: [{ title: OVER_THE_CHART, shortcuts: ['Drag'] }],
+    },
+    boxTool: {
+        description: 'A drag zooms to exactly the rectangle it sweeps out, both axes at once — for looking into a baseline or a shoulder rather than across the spectrum.',
+    },
+    zoomIn: {
+        description: 'Brings the weak bands up, scaling the intensity axis about zero.',
+        gestures: [{ title: OVER_THE_CHART, shortcuts: ['Scroll wheel'] }],
+    },
+    zoomOut: {
+        gestures: [{ title: OVER_THE_CHART, shortcuts: ['Scroll wheel'] }],
+    },
+    togglePicking: {
+        description: 'Finds the bands of the selected spectrum, marks them on the chart and lists them.',
+    },
+};
+/** The command table of each technique. */
+const COMMAND_TABLES = {
+    infrared: irCommands,
+    raman: Object.fromEntries(Object.keys(irCommands)
+        .filter((id) => irCommandOffered('raman', id))
+        .map((id) => [id, { ...irCommands[id], ...RAMAN_WORDING[id] }])),
+};
+//# sourceMappingURL=irTechniqueCommands.js.map

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

@@ -0,0 +1 @@
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package/lib/ir/core/pickBands.d.ts

@@ -3,11 +3,12 @@
  *
  * Everything here is the two things that call needs and does not have: a
  * `MeasurementXY` built out of the arrays the viewer holds, and the decision to
- * pick on **absorbance** rather than on transmittance. That second one is the
- * only judgement in the file and it is not a preference — peak picking finds
- * maxima, and a band is a maximum in absorbance but a *minimum* in transmittance,
- * so picking on transmittance would return the flat baseline between the bands
- * and miss every band there is.
+ * pick an infrared spectrum on **absorbance** rather than on transmittance. That
+ * second one is the only judgement in the file and it is not a preference — peak
+ * picking finds maxima, and a band is a maximum in absorbance but a *minimum* in
+ * transmittance, so picking on transmittance would return the flat baseline
+ * between the bands and miss every band there is. A Raman spectrum is picked on
+ * its intensity, by `ramanBands`, with the same picker.
  */
 import type { IrBand } from './irBand.ts';
 import type { IrSpectrum } from './irSpectrum.ts';

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

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

@@ -3,14 +3,17 @@
  *
  * Everything here is the two things that call needs and does not have: a
  * `MeasurementXY` built out of the arrays the viewer holds, and the decision to
- * pick on **absorbance** rather than on transmittance. That second one is the
- * only judgement in the file and it is not a preference — peak picking finds
- * maxima, and a band is a maximum in absorbance but a *minimum* in transmittance,
- * so picking on transmittance would return the flat baseline between the bands
- * and miss every band there is.
+ * pick an infrared spectrum on **absorbance** rather than on transmittance. That
+ * second one is the only judgement in the file and it is not a preference — peak
+ * picking finds maxima, and a band is a maximum in absorbance but a *minimum* in
+ * transmittance, so picking on transmittance would return the flat baseline
+ * between the bands and miss every band there is. A Raman spectrum is picked on
+ * its intensity, by `ramanBands`, with the same picker.
  */
 import { autoPeakPicking } from 'ir-spectrum';
 import { xMaxValue, xMinValue } from 'ml-spectra-processing';
+import { bandHeight } from "./irBand.js";
+import { ramanBands } from "./ramanBands.js";
 /**
  * Pick the bands of one spectrum.
  *
@@ -34,20 +37,41 @@ export function pickBands(spectrum, options = {}) {
     const { from, to, minRelativeHeight = 0.02, minPeakWidth = 4, limit, } = options;
     if (spectrum.wavenumber.length < 2)
         return [];
-    const picked = autoPeakPicking(measurementOf(spectrum), {
-        // Absorbance, because a band is a maximum there and a minimum in the other.
-        yVariable: 'a',
+    const picking = {
         minMaxRatio: minRelativeHeight,
         minPeakWidth,
         ...(from === undefined ? {} : { from }),
         ...(to === undefined ? {} : { to }),
-    });
+    };
+    // A spectrum carrying an intensity is a Raman one; any other is infrared.
+    const bands = spectrum.intensity === undefined
+        ? infraredBands(spectrum, picking)
+        : ramanBands(spectrum, spectrum.intensity, picking);
+    const kept = limit === undefined || bands.length <= limit
+        ? bands
+        : bands.toSorted(byDescendingHeight).slice(0, limit);
+    return kept.toSorted(byAscendingWavenumber);
+}
+/**
+ * The bands of an infrared spectrum, picked on its absorbance.
+ * @param spectrum - The spectrum to pick from.
+ * @param picking - Where to pick, and how finely.
+ * @returns The bands, in the order they were found; none when the spectrum
+ * carries only one of its two axes, since the strength is read off the other.
+ */
+function infraredBands(spectrum, picking) {
+    const { id, wavenumber, absorbance, transmittance } = spectrum;
+    if (absorbance === undefined || transmittance === undefined)
+        return [];
+    const picked = autoPeakPicking(measurementOf(wavenumber, absorbance, transmittance), 
+    // Absorbance, because a band is a maximum there and a minimum in the other.
+    { yVariable: 'a', ...picking });
     const bands = [];
     for (const peak of picked) {
         if (!Number.isFinite(peak.wavenumber))
             continue;
         bands.push({
-            spectrumId: spectrum.id,
+            spectrumId: id,
             wavenumber: peak.wavenumber,
             absorbance: peak.absorbance,
             // `ConvertedPeak.transmittance` is a fraction where the spectrum's own
@@ -57,10 +81,7 @@ export function pickBands(spectrum, options = {}) {
             strength: peak.kind,
         });
     }
-    const kept = limit === undefined || bands.length <= limit
-        ? bands
-        : bands.toSorted(byDescendingAbsorbance).slice(0, limit);
-    return kept.toSorted(byAscendingWavenumber);
+    return bands;
 }
 /**
  * The spectrum as `ir-spectrum` wants it.
@@ -69,17 +90,19 @@ export function pickBands(spectrum, options = {}) {
  * letter is worked out from: without them the conversion assumes a spectrum
  * running the full 0 to 100 percent, and every band of a shallow ATR trace that
  * never leaves the eighties comes back weak.
- * @param spectrum - The spectrum the viewer holds.
+ * @param wavenumber - The wavenumbers, ascending.
+ * @param absorbance - Absorbance at each.
+ * @param transmittance - Percent transmittance at each.
  * @returns A measurement carrying all three variables.
  */
-function measurementOf(spectrum) {
-    const transmittance = {
+function measurementOf(wavenumber, absorbance, transmittance) {
+    const percent = {
         label: 'Transmittance (%)',
         units: '%',
         symbol: 't',
-        data: spectrum.transmittance,
-        min: xMinValue(spectrum.transmittance),
-        max: xMaxValue(spectrum.transmittance),
+        data: transmittance,
+        min: xMinValue(transmittance),
+        max: xMaxValue(transmittance),
     };
     return {
         variables: {
@@ -87,20 +110,20 @@ function measurementOf(spectrum) {
                 label: 'Wavenumber',
                 units: '1/cm',
                 symbol: 'x',
-                data: spectrum.wavenumber,
+                data: wavenumber,
             },
             // `y` is required of every measurement, and stands for whichever axis was
             // recorded. Nothing here reads it — the picking is told to use `a` and the
             // strength letter is read off `t` — so it carries the transmittance rather
             // than a third copy of anything.
-            y: transmittance,
+            y: percent,
             a: {
                 label: 'Absorbance',
                 units: '',
                 symbol: 'a',
-                data: spectrum.absorbance,
+                data: absorbance,
             },
-            t: transmittance,
+            t: percent,
         },
     };
 }
@@ -110,8 +133,8 @@ function measurementOf(spectrum) {
  * @param second - The other.
  * @returns The comparison.
  */
-function byDescendingAbsorbance(first, second) {
-    return second.absorbance - first.absorbance;
+function byDescendingHeight(first, second) {
+    return bandHeight(second) - bandHeight(first);
 }
 /**
  * Order two bands along the axis, lowest wavenumber first.

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

@@ -0,0 +1,30 @@
+/**
+ * Finding the bands of a Raman spectrum, with the picker infrared bands are
+ * found with.
+ *
+ * `autoPeakPicking` from `ir-spectrum` is `common-spectrum`'s, which runs
+ * `ml-gsd` over whichever variable it is pointed at — the picker
+ * `raman-spectrum` itself exports — and converts each peak to absorbance and
+ * transmittance on top. A Raman band is a maximum of intensity, so the picker is
+ * pointed at the intensity and only where each peak sits is read back: the
+ * conversion speaks two axes a Raman spectrum does not have.
+ *
+ * The strength letter follows the rule `ir-spectrum` applies to transmittance,
+ * applied to intensity: where the band's top sits between the spectrum's own
+ * lowest and highest intensity — below a third weak, below two thirds medium,
+ * strong above.
+ */
+import { autoPeakPicking } from 'ir-spectrum';
+import type { IrBand } from './irBand.ts';
+import type { IrSpectrum } from './irSpectrum.ts';
+/** What the picker is asked, whichever technique it picks for. */
+export type PeakPickingOptions = NonNullable<Parameters<typeof autoPeakPicking>[1]>;
+/**
+ * The bands of a Raman spectrum, picked on its intensity.
+ * @param spectrum - The spectrum to pick from.
+ * @param intensity - Its intensity, which the bands are maxima of.
+ * @param picking - Where to pick, and how finely.
+ * @returns The bands, in the order they were found.
+ */
+export declare function ramanBands(spectrum: IrSpectrum, intensity: Float64Array, picking: PeakPickingOptions): IrBand[];
+//# sourceMappingURL=ramanBands.d.ts.map

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

@@ -0,0 +1 @@
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package/lib/ir/core/ramanBands.js

@@ -0,0 +1,83 @@
+/**
+ * Finding the bands of a Raman spectrum, with the picker infrared bands are
+ * found with.
+ *
+ * `autoPeakPicking` from `ir-spectrum` is `common-spectrum`'s, which runs
+ * `ml-gsd` over whichever variable it is pointed at — the picker
+ * `raman-spectrum` itself exports — and converts each peak to absorbance and
+ * transmittance on top. A Raman band is a maximum of intensity, so the picker is
+ * pointed at the intensity and only where each peak sits is read back: the
+ * conversion speaks two axes a Raman spectrum does not have.
+ *
+ * The strength letter follows the rule `ir-spectrum` applies to transmittance,
+ * applied to intensity: where the band's top sits between the spectrum's own
+ * lowest and highest intensity — below a third weak, below two thirds medium,
+ * strong above.
+ */
+import { autoPeakPicking } from 'ir-spectrum';
+import { xFindClosestIndex, xMinMaxValues } from 'ml-spectra-processing';
+/**
+ * The bands of a Raman spectrum, picked on its intensity.
+ * @param spectrum - The spectrum to pick from.
+ * @param intensity - Its intensity, which the bands are maxima of.
+ * @param picking - Where to pick, and how finely.
+ * @returns The bands, in the order they were found.
+ */
+export function ramanBands(spectrum, intensity, picking) {
+    const { id, wavenumber } = spectrum;
+    const picked = autoPeakPicking(measurementOf(wavenumber, intensity), {
+        ...picking,
+        yVariable: 'y',
+    });
+    const { min, max } = xMinMaxValues(intensity);
+    const bands = [];
+    for (const peak of picked) {
+        if (!Number.isFinite(peak.wavenumber))
+            continue;
+        // The peak sits on a sample, so its intensity is read off that sample.
+        const value = intensity[xFindClosestIndex(wavenumber, peak.wavenumber)];
+        if (value === undefined)
+            continue;
+        bands.push({
+            spectrumId: id,
+            wavenumber: peak.wavenumber,
+            intensity: value,
+            strength: strengthOf(value, min, max),
+        });
+    }
+    return bands;
+}
+/**
+ * How strong a band is, from where its top sits in the spectrum's range.
+ * @param value - The band's intensity.
+ * @param lowest - The spectrum's lowest intensity.
+ * @param highest - Its highest.
+ * @returns The letter a correlation table would use.
+ */
+function strengthOf(value, lowest, highest) {
+    const position = (value - lowest) / (highest - lowest);
+    if (position < WEAK_BELOW)
+        return 'w';
+    if (position < MEDIUM_BELOW)
+        return 'm';
+    return 'S';
+}
+/** Below this fraction of the spectrum's range a band is weak. */
+const WEAK_BELOW = 0.33;
+/** Below this one it is medium, and strong from here up. */
+const MEDIUM_BELOW = 0.66;
+/**
+ * The spectrum as `ir-spectrum` wants it: the shifts, and the intensity as `y`.
+ * @param shift - The Raman shifts, ascending.
+ * @param intensity - The intensity at each.
+ * @returns The measurement.
+ */
+function measurementOf(shift, intensity) {
+    return {
+        variables: {
+            x: { label: 'Raman shift', units: '1/cm', symbol: 'x', data: shift },
+            y: { label: 'Intensity', units: '', symbol: 'y', data: intensity },
+        },
+    };
+}
+//# sourceMappingURL=ramanBands.js.map

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

@@ -0,0 +1 @@
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