react-cheminfo 0.64.1 → 0.66.0

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

@@ -7,7 +7,8 @@
  * turned inside out, and a bare column of numbers leaves whoever opens it next
  * to guess which. `##YUNITS=` states it, and `ir-spectrum` reads it back and
  * derives the other axis from it, so a spectrum written here returns carrying
- * both.
+ * both. A Raman spectrum is written as its intensity, under a `##DATA TYPE=`
+ * that says it is Raman.
  *
  * The points are written as an `##PEAK TABLE=` of explicit `x y` pairs rather
  * than as a compressed `##XYDATA=` record. An XYDATA record states a first
@@ -21,8 +22,8 @@ import type { IrMode, IrSpectrum } from './irSpectrum.ts';
 export declare const JCAMP_EXTENSION = ".jdx";
 /** What a JCAMP-DX file is served as. */
 export declare const JCAMP_MIME_TYPE = "chemical/x-jcamp-dx";
-/** How the technique is named when the file that was read named nothing. */
-export declare const DEFAULT_DATA_TYPE = "INFRARED SPECTRUM";
+/** The infrared data type, written when the file that was read named none. */
+export declare const DEFAULT_DATA_TYPE: "INFRARED SPECTRUM";
 /**
  * Write one spectrum as a JCAMP-DX block.
  *
@@ -30,10 +31,13 @@ export declare const DEFAULT_DATA_TYPE = "INFRARED SPECTRUM";
  * which that was, and only otherwise the one being read. Writing what is on
  * screen instead would export a spectrum that had been through a logarithm it
  * was never measured with — and, where a band bottoms out at zero transmittance,
- * an absorbance of infinity that no reader can take back.
+ * an absorbance of infinity that no reader can take back. A spectrum carrying
+ * neither falls back on whichever axis it does carry, so a Raman spectrum is
+ * written as its intensity.
  * @param spectrum - The spectrum.
  * @param mode - The axis being read, used when the file named none.
  * @returns The block, `##TITLE=` through `##END=`.
+ * @throws {Error} When the spectrum carries no value axis at all.
  */
 export declare function irSpectrumToJcamp(spectrum: IrSpectrum, mode: IrMode): string;
 /**
@@ -51,7 +55,8 @@ export declare function irSpectrumToJcamp(spectrum: IrSpectrum, mode: IrMode): s
  * spectrum would have written.
  * @param spectra - The spectra, in the order the list holds them.
  * @param mode - The axis being read, used for a spectrum whose file named none.
- * @param title - What to call the file's own outer block.
+ * @param title - What to call the file's own outer block. Defaults to the
+ * count and the technique that reads `mode`: `2 infrared spectra`.
  * @returns The file.
  */
 export declare function irSpectraToJcamp(spectra: readonly IrSpectrum[], mode: IrMode, title?: string): string;

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

@@ -1 +1 @@
-{"version":3,"file":"spectrumJcamp.d.ts","sourceRoot":"","sources":["../../../src/ir/core/spectrumJcamp.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;GAiBG;AAIH,OAAO,KAAK,EAAE,MAAM,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAE1D,uDAAuD;AACvD,eAAO,MAAM,eAAe,SAAS,CAAC;AAEtC,yCAAyC;AACzC,eAAO,MAAM,eAAe,wBAAwB,CAAC;AAErD,4EAA4E;AAC5E,eAAO,MAAM,iBAAiB,sBAAsB,CAAC;AAErD;;;;;;;;;;;GAWG;AACH,wBAAgB,iBAAiB,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,CAQ5E;AAED;;;;;;;;;;;;;;;;;GAiBG;AACH,wBAAgB,gBAAgB,CAC9B,OAAO,EAAE,SAAS,UAAU,EAAE,EAC9B,IAAI,EAAE,MAAM,EACZ,KAAK,SAAuC,GAC3C,MAAM,CAeR"}
+{"version":3,"file":"spectrumJcamp.d.ts","sourceRoot":"","sources":["../../../src/ir/core/spectrumJcamp.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;;;;;GAkBG;AAIH,OAAO,KAAK,EAAE,MAAM,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAG1D,uDAAuD;AACvD,eAAO,MAAM,eAAe,SAAS,CAAC;AAEtC,yCAAyC;AACzC,eAAO,MAAM,eAAe,wBAAwB,CAAC;AAErD,8EAA8E;AAC9E,eAAO,MAAM,iBAAiB,qBAAuC,CAAC;AAEtE;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,iBAAiB,CAAC,QAAQ,EAAE,UAAU,EAAE,IAAI,EAAE,MAAM,GAAG,MAAM,CAU5E;AAED;;;;;;;;;;;;;;;;;;GAkBG;AACH,wBAAgB,gBAAgB,CAC9B,OAAO,EAAE,SAAS,UAAU,EAAE,EAC9B,IAAI,EAAE,MAAM,EACZ,KAAK,SAAgF,GACpF,MAAM,CAeR"}

package/lib/ir/core/spectrumJcamp.js

@@ -7,7 +7,8 @@
  * turned inside out, and a bare column of numbers leaves whoever opens it next
  * to guess which. `##YUNITS=` states it, and `ir-spectrum` reads it back and
  * derives the other axis from it, so a spectrum written here returns carrying
- * both.
+ * both. A Raman spectrum is written as its intensity, under a `##DATA TYPE=`
+ * that says it is Raman.
  *
  * The points are written as an `##PEAK TABLE=` of explicit `x y` pairs rather
  * than as a compressed `##XYDATA=` record. An XYDATA record states a first
@@ -17,12 +18,13 @@
  * Explicit pairs round trip whatever the spacing.
  */
 import { fromJSON } from 'convert-to-jcamp';
+import { IR_TECHNIQUE_RULES, irModeTechnique } from "./irTechnique.js";
 /** The extension a written spectrum is saved under. */
 export const JCAMP_EXTENSION = '.jdx';
 /** What a JCAMP-DX file is served as. */
 export const JCAMP_MIME_TYPE = 'chemical/x-jcamp-dx';
-/** How the technique is named when the file that was read named nothing. */
-export const DEFAULT_DATA_TYPE = 'INFRARED SPECTRUM';
+/** The infrared data type, written when the file that was read named none. */
+export const DEFAULT_DATA_TYPE = IR_TECHNIQUE_RULES.infrared.dataType;
 /**
  * Write one spectrum as a JCAMP-DX block.
  *
@@ -30,14 +32,20 @@ export const DEFAULT_DATA_TYPE = 'INFRARED SPECTRUM';
  * which that was, and only otherwise the one being read. Writing what is on
  * screen instead would export a spectrum that had been through a logarithm it
  * was never measured with — and, where a band bottoms out at zero transmittance,
- * an absorbance of infinity that no reader can take back.
+ * an absorbance of infinity that no reader can take back. A spectrum carrying
+ * neither falls back on whichever axis it does carry, so a Raman spectrum is
+ * written as its intensity.
  * @param spectrum - The spectrum.
  * @param mode - The axis being read, used when the file named none.
  * @returns The block, `##TITLE=` through `##END=`.
+ * @throws {Error} When the spectrum carries no value axis at all.
  */
 export function irSpectrumToJcamp(spectrum, mode) {
-    const written = spectrum.origin.recorded ?? mode;
-    const values = written === 'absorbance' ? spectrum.absorbance : spectrum.transmittance;
+    const written = writtenAxis(spectrum, mode);
+    const values = spectrum[written];
+    if (values === undefined) {
+        throw new Error(`${spectrum.name} carries no value axis to write.`);
+    }
     return fromJSON({ x: spectrum.wavenumber, y: values }, { info: infoRecords(spectrum, written), meta: metaRecords(spectrum) });
 }
 /**
@@ -55,10 +63,11 @@ export function irSpectrumToJcamp(spectrum, mode) {
  * spectrum would have written.
  * @param spectra - The spectra, in the order the list holds them.
  * @param mode - The axis being read, used for a spectrum whose file named none.
- * @param title - What to call the file's own outer block.
+ * @param title - What to call the file's own outer block. Defaults to the
+ * count and the technique that reads `mode`: `2 infrared spectra`.
  * @returns The file.
  */
-export function irSpectraToJcamp(spectra, mode, title = `${spectra.length} infrared spectra`) {
+export function irSpectraToJcamp(spectra, mode, title = `${spectra.length} ${IR_TECHNIQUE_RULES[irModeTechnique(mode)].name} spectra`) {
     const only = spectra.length === 1 ? spectra[0] : undefined;
     if (only !== undefined)
         return irSpectrumToJcamp(only, mode);
@@ -74,6 +83,32 @@ ${blocks.join('\n')}
 ##END=
 `;
 }
+/**
+ * Which axis of a spectrum is written.
+ * @param spectrum - The spectrum.
+ * @param mode - The axis being read.
+ * @returns The axis its file recorded, else the one being read, else the first
+ * it carries; `mode` when it carries none, which the caller refuses.
+ */
+function writtenAxis(spectrum, mode) {
+    const { recorded } = spectrum.origin;
+    if (recorded !== undefined && spectrum[recorded] !== undefined) {
+        return recorded;
+    }
+    if (spectrum[mode] !== undefined)
+        return mode;
+    for (const axis of WRITTEN_AXES) {
+        if (spectrum[axis] !== undefined)
+            return axis;
+    }
+    return mode;
+}
+/** The axes a spectrum may carry, in the order one is looked for. */
+const WRITTEN_AXES = [
+    'transmittance',
+    'absorbance',
+    'intensity',
+];
 /**
  * The standard records of a block: what it is called, and what its axes are.
  * @param spectrum - The spectrum.
@@ -83,16 +118,29 @@ ${blocks.join('\n')}
 function infoRecords(spectrum, written) {
     return {
         title: recordValue(spectrum.name),
-        // The technique as the file stated it, so a Raman spectrum that was opened
-        // here is not written back out claiming to be infrared.
-        dataType: technique(spectrum) ?? DEFAULT_DATA_TYPE,
+        // The technique as the file stated it, and otherwise the one the written
+        // axis belongs to, so a Raman spectrum is never written out claiming to be
+        // infrared.
+        dataType: technique(spectrum) ??
+            IR_TECHNIQUE_RULES[irModeTechnique(written)].dataType,
         xUnits: '1/CM',
-        // Spelled the way `ir-spectrum` reads it: it takes the axis to be
-        // transmittance when the label says `trans`, and to be a percentage rather
-        // than a fraction when it carries a `%`.
-        yUnits: written === 'absorbance' ? 'ABSORBANCE' : 'Transmittance (%)',
+        yUnits: Y_UNITS[written],
     };
 }
+/**
+ * What each axis is called in `##YUNITS=`.
+ *
+ * Spelled the way `ir-spectrum` reads them: it takes the axis to be
+ * transmittance when the label says `trans`, and to be a percentage rather than
+ * a fraction when it carries a `%`. A Raman intensity has no unit of its own —
+ * counts on one instrument, a fraction of the strongest band on another — so it
+ * is named, as Raman instruments write it.
+ */
+const Y_UNITS = {
+    transmittance: 'Transmittance (%)',
+    absorbance: 'ABSORBANCE',
+    intensity: 'INTENSITY',
+};
 /**
  * The `$`-prefixed records of a block: the acquisition, as the file stated it.
  *

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

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

@@ -1 +1 @@
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+{"version":3,"file":"toIrSpectrum.d.ts","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAIH,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,sBAAsB,CAAC;AAC7D,OAAO,KAAK,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAElD,yEAAyE;AACzE,MAAM,WAAW,mBAAmB;IAClC;;;OAGG;IACH,EAAE,CAAC,EAAE,MAAM,CAAC;IACZ;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;;OAIG;IACH,KAAK,CAAC,EAAE,SAAS,MAAM,EAAE,CAAC;IAC1B;;;OAGG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;IACd;;;OAGG;IACH,OAAO,CAAC,EAAE,OAAO,CAAC;CACnB;AAED;;;;;GAKG;AACH,wBAAgB,YAAY,CAC1B,MAAM,EAAE,gBAAgB,EACxB,OAAO,GAAE,mBAAwB,GAChC,UAAU,CAkBZ;AAED;;;;;;;;;;GAUG;AACH,wBAAgB,WAAW,CACzB,MAAM,EAAE,SAAS,gBAAgB,EAAE,EACnC,OAAO,GAAE,IAAI,CAAC,mBAAmB,EAAE,OAAO,GAAG,SAAS,CAAM,GAC3D,UAAU,EAAE,CAad"}

package/lib/ir/core/toIrSpectrum.js

@@ -21,8 +21,7 @@ export function toIrSpectrum(loaded, options = {}) {
         name: name ?? loaded.name ?? loaded.origin.fileName ?? 'spectrum',
         color,
         wavenumber: loaded.wavenumber,
-        absorbance: loaded.absorbance,
-        transmittance: loaded.transmittance,
+        ...valueAxes(loaded),
         meta: loaded.meta,
         origin: loaded.origin,
         visible,
@@ -53,4 +52,20 @@ export function toIrSpectra(loaded, options = {}) {
     }
     return spectra;
 }
+/**
+ * The value axes a loaded spectrum carries, and only those.
+ *
+ * An absent axis is an absent key, never a key holding `undefined`: the two
+ * read the same in a debugger and differently in every structural comparison.
+ * @param loaded - What the reader produced.
+ * @returns Its absorbance and transmittance, or its intensity.
+ */
+function valueAxes(loaded) {
+    const { absorbance, transmittance, intensity } = loaded;
+    return {
+        ...(absorbance === undefined ? {} : { absorbance }),
+        ...(transmittance === undefined ? {} : { transmittance }),
+        ...(intensity === undefined ? {} : { intensity }),
+    };
+}
 //# sourceMappingURL=toIrSpectrum.js.map

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

@@ -1 +1 @@
-{"version":3,"file":"toIrSpectrum.js","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,iBAAiB,EAAE,MAAM,mCAAmC,CAAC;AAmCtE;;;;;GAKG;AACH,MAAM,UAAU,YAAY,CAC1B,MAAwB,EACxB,UAA+B,EAAE;IAEjC,MAAM,EACJ,EAAE,GAAG,MAAM,CAAC,UAAU,EAAE,EACxB,KAAK,GAAG,EAAE,EACV,IAAI,EACJ,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IACZ,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,IAAI,iBAAiB,CAAC,KAAK,CAAC,CAAC;IACxD,OAAO;QACL,EAAE;QACF,IAAI,EAAE,IAAI,IAAI,MAAM,CAAC,IAAI,IAAI,MAAM,CAAC,MAAM,CAAC,QAAQ,IAAI,UAAU;QACjE,KAAK;QACL,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,aAAa,EAAE,MAAM,CAAC,aAAa;QACnC,IAAI,EAAE,MAAM,CAAC,IAAI;QACjB,MAAM,EAAE,MAAM,CAAC,MAAM;QACrB,OAAO;KACR,CAAC;AACJ,CAAC;AAED;;;;;;;;;;GAUG;AACH,MAAM,UAAU,WAAW,CACzB,MAAmC,EACnC,UAA0D,EAAE;IAE5D,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,OAAO,EAAE,GAAG,OAAO,CAAC;IACxC,MAAM,MAAM,GAAG,CAAC,GAAG,KAAK,CAAC,CAAC;IAC1B,MAAM,OAAO,GAAiB,EAAE,CAAC;IACjC,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE,CAAC;QAC3B,MAAM,QAAQ,GAAG,YAAY,CAAC,KAAK,EAAE;YACnC,KAAK,EAAE,MAAM;YACb,GAAG,CAAC,OAAO,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,CAAC;SAC9C,CAAC,CAAC;QACH,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;QAC5B,OAAO,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;IACzB,CAAC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC"}
+{"version":3,"file":"toIrSpectrum.js","sourceRoot":"","sources":["../../../src/ir/core/toIrSpectrum.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,iBAAiB,EAAE,MAAM,mCAAmC,CAAC;AAmCtE;;;;;GAKG;AACH,MAAM,UAAU,YAAY,CAC1B,MAAwB,EACxB,UAA+B,EAAE;IAEjC,MAAM,EACJ,EAAE,GAAG,MAAM,CAAC,UAAU,EAAE,EACxB,KAAK,GAAG,EAAE,EACV,IAAI,EACJ,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IACZ,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,IAAI,iBAAiB,CAAC,KAAK,CAAC,CAAC;IACxD,OAAO;QACL,EAAE;QACF,IAAI,EAAE,IAAI,IAAI,MAAM,CAAC,IAAI,IAAI,MAAM,CAAC,MAAM,CAAC,QAAQ,IAAI,UAAU;QACjE,KAAK;QACL,UAAU,EAAE,MAAM,CAAC,UAAU;QAC7B,GAAG,SAAS,CAAC,MAAM,CAAC;QACpB,IAAI,EAAE,MAAM,CAAC,IAAI;QACjB,MAAM,EAAE,MAAM,CAAC,MAAM;QACrB,OAAO;KACR,CAAC;AACJ,CAAC;AAED;;;;;;;;;;GAUG;AACH,MAAM,UAAU,WAAW,CACzB,MAAmC,EACnC,UAA0D,EAAE;IAE5D,MAAM,EAAE,KAAK,GAAG,EAAE,EAAE,OAAO,EAAE,GAAG,OAAO,CAAC;IACxC,MAAM,MAAM,GAAG,CAAC,GAAG,KAAK,CAAC,CAAC;IAC1B,MAAM,OAAO,GAAiB,EAAE,CAAC;IACjC,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE,CAAC;QAC3B,MAAM,QAAQ,GAAG,YAAY,CAAC,KAAK,EAAE;YACnC,KAAK,EAAE,MAAM;YACb,GAAG,CAAC,OAAO,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,OAAO,EAAE,CAAC;SAC9C,CAAC,CAAC;QACH,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;QAC5B,OAAO,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;IACzB,CAAC;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAED;;;;;;;GAOG;AACH,SAAS,SAAS,CAChB,MAAwB;IAExB,MAAM,EAAE,UAAU,EAAE,aAAa,EAAE,SAAS,EAAE,GAAG,MAAM,CAAC;IACxD,OAAO;QACL,GAAG,CAAC,UAAU,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,UAAU,EAAE,CAAC;QACnD,GAAG,CAAC,aAAa,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,aAAa,EAAE,CAAC;QACzD,GAAG,CAAC,SAAS,KAAK,SAAS,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,SAAS,EAAE,CAAC;KAClD,CAAC;AACJ,CAAC"}

package/lib/ir/ui/BandRow.d.ts

@@ -0,0 +1,30 @@
+import type { AssignedBand } from '../core/assignBands.ts';
+import type { IrBand } from '../core/irBand.ts';
+import type { IrMode } from '../core/irSpectrum.ts';
+export interface BandRowProps {
+    /** The band and everything it might be. */
+    entry: AssignedBand;
+    /** Which value axis is being read. */
+    mode: IrMode;
+    /** Whether the row has a column for what the band could be. */
+    assignments: boolean;
+    /** Whether the pointer is on this band, here or on the chart. */
+    lit: boolean;
+    /**
+     * Told when the pointer arrives on this row, and when it leaves.
+     * @default undefined
+     */
+    onHighlight?: (band: IrBand | null) => void;
+}
+/**
+ * One band: where it is, how strong, and every vibration it could be.
+ *
+ * The candidates are written as one line rather than a list, so a strong band
+ * with four of them stays one row of the table and the wavenumbers keep reading
+ * down the column. The `title` carries them again with each one's note, which is
+ * where the reason to prefer one lives.
+ * @param props - Component props.
+ * @returns The row.
+ */
+export declare function BandRow(props: BandRowProps): import("react").JSX.Element;
+//# sourceMappingURL=BandRow.d.ts.map

package/lib/ir/ui/BandRow.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"BandRow.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/BandRow.tsx"],"names":[],"mappings":"AAMA,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,wBAAwB,CAAC;AAC3D,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAGhD,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,uBAAuB,CAAC;AAEpD,MAAM,WAAW,YAAY;IAC3B,2CAA2C;IAC3C,KAAK,EAAE,YAAY,CAAC;IACpB,sCAAsC;IACtC,IAAI,EAAE,MAAM,CAAC;IACb,+DAA+D;IAC/D,WAAW,EAAE,OAAO,CAAC;IACrB,iEAAiE;IACjE,GAAG,EAAE,OAAO,CAAC;IACb;;;OAGG;IACH,WAAW,CAAC,EAAE,CAAC,IAAI,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CAC7C;AAED;;;;;;;;;GASG;AACH,wBAAgB,OAAO,CAAC,KAAK,EAAE,YAAY,+BAoB1C"}

package/lib/ir/ui/BandRow.js

@@ -0,0 +1,42 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { Icon } from '@blueprintjs/core';
+import { panelCellStyle, panelNumberCellStyle, } from "../../panel/core/panelStyles.js";
+import { bandValue } from "../core/irBand.js";
+import { formatIrValue, formatWavenumber } from "../core/irFormat.js";
+/**
+ * One band: where it is, how strong, and every vibration it could be.
+ *
+ * The candidates are written as one line rather than a list, so a strong band
+ * with four of them stays one row of the table and the wavenumbers keep reading
+ * down the column. The `title` carries them again with each one's note, which is
+ * where the reason to prefer one lives.
+ * @param props - Component props.
+ * @returns The row.
+ */
+export function BandRow(props) {
+    const { entry, mode, assignments, lit, onHighlight } = props;
+    const { band } = entry;
+    return (_jsxs("tr", { style: lit ? litRowStyle : undefined, onPointerEnter: () => onHighlight?.(band), onPointerLeave: () => onHighlight?.(null), children: [_jsx("td", { style: panelNumberCellStyle, children: formatWavenumber(band.wavenumber) }), _jsx("td", { style: panelCellStyle, title: STRENGTH_TITLES[band.strength], children: band.strength }), _jsx("td", { style: panelNumberCellStyle, children: formatIrValue(bandValue(band, mode) ?? Number.NaN, mode) }), assignments ? _jsx(CandidatesCell, { entry: entry }) : null] }));
+}
+/**
+ * What a band could be: the narrowest candidate, and how many more there are.
+ * @param props - Component props.
+ * @returns The cell.
+ */
+function CandidatesCell(props) {
+    const { candidates } = props.entry;
+    const detail = candidates
+        .map((candidate) => candidate.note === undefined
+        ? `${candidate.group} ${candidate.vibration}`
+        : `${candidate.group} ${candidate.vibration} — ${candidate.note}`)
+        .join('\n');
+    return (_jsx("td", { style: panelCellStyle, title: detail, children: candidates.length === 0 ? (_jsx("span", { style: { opacity: 0.5 }, children: "\u2014" })) : (_jsxs("span", { style: { whiteSpace: 'normal' }, children: [candidates[0]?.group, " ", candidates[0]?.vibration, candidates.length > 1 ? (_jsxs("span", { style: { opacity: 0.6 }, children: [' ', _jsx(Icon, { icon: "more", size: 10 }), " ", candidates.length - 1, " more"] })) : null] })) }));
+}
+/** What each strength letter means, for the column that shows only the letter. */
+const STRENGTH_TITLES = {
+    w: 'weak, relative to this spectrum',
+    m: 'medium, relative to this spectrum',
+    S: 'strong, relative to this spectrum',
+};
+const litRowStyle = { background: '#fff3e0' };
+//# sourceMappingURL=BandRow.js.map

package/lib/ir/ui/BandRow.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"BandRow.js","sourceRoot":"","sources":["../../../src/ir/ui/BandRow.tsx"],"names":[],"mappings":";AAAA,OAAO,EAAE,IAAI,EAAE,MAAM,mBAAmB,CAAC;AAEzC,OAAO,EACL,cAAc,EACd,oBAAoB,GACrB,MAAM,iCAAiC,CAAC;AAGzC,OAAO,EAAE,SAAS,EAAE,MAAM,mBAAmB,CAAC;AAC9C,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,MAAM,qBAAqB,CAAC;AAmBtE;;;;;;;;;GASG;AACH,MAAM,UAAU,OAAO,CAAC,KAAmB;IACzC,MAAM,EAAE,KAAK,EAAE,IAAI,EAAE,WAAW,EAAE,GAAG,EAAE,WAAW,EAAE,GAAG,KAAK,CAAC;IAC7D,MAAM,EAAE,IAAI,EAAE,GAAG,KAAK,CAAC;IAEvB,OAAO,CACL,cACE,KAAK,EAAE,GAAG,CAAC,CAAC,CAAC,WAAW,CAAC,CAAC,CAAC,SAAS,EACpC,cAAc,EAAE,GAAG,EAAE,CAAC,WAAW,EAAE,CAAC,IAAI,CAAC,EACzC,cAAc,EAAE,GAAG,EAAE,CAAC,WAAW,EAAE,CAAC,IAAI,CAAC,aAEzC,aAAI,KAAK,EAAE,oBAAoB,YAAG,gBAAgB,CAAC,IAAI,CAAC,UAAU,CAAC,GAAM,EACzE,aAAI,KAAK,EAAE,cAAc,EAAE,KAAK,EAAE,eAAe,CAAC,IAAI,CAAC,QAAQ,CAAC,YAC7D,IAAI,CAAC,QAAQ,GACX,EACL,aAAI,KAAK,EAAE,oBAAoB,YAC5B,aAAa,CAAC,SAAS,CAAC,IAAI,EAAE,IAAI,CAAC,IAAI,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,GACtD,EACJ,WAAW,CAAC,CAAC,CAAC,KAAC,cAAc,IAAC,KAAK,EAAE,KAAK,GAAI,CAAC,CAAC,CAAC,IAAI,IACnD,CACN,CAAC;AACJ,CAAC;AAOD;;;;GAIG;AACH,SAAS,cAAc,CAAC,KAA0B;IAChD,MAAM,EAAE,UAAU,EAAE,GAAG,KAAK,CAAC,KAAK,CAAC;IACnC,MAAM,MAAM,GAAG,UAAU;SACtB,GAAG,CAAC,CAAC,SAAS,EAAE,EAAE,CACjB,SAAS,CAAC,IAAI,KAAK,SAAS;QAC1B,CAAC,CAAC,GAAG,SAAS,CAAC,KAAK,IAAI,SAAS,CAAC,SAAS,EAAE;QAC7C,CAAC,CAAC,GAAG,SAAS,CAAC,KAAK,IAAI,SAAS,CAAC,SAAS,MAAM,SAAS,CAAC,IAAI,EAAE,CACpE;SACA,IAAI,CAAC,IAAI,CAAC,CAAC;IAEd,OAAO,CACL,aAAI,KAAK,EAAE,cAAc,EAAE,KAAK,EAAE,MAAM,YACrC,UAAU,CAAC,MAAM,KAAK,CAAC,CAAC,CAAC,CAAC,CACzB,eAAM,KAAK,EAAE,EAAE,OAAO,EAAE,GAAG,EAAE,uBAAU,CACxC,CAAC,CAAC,CAAC,CACF,gBAAM,KAAK,EAAE,EAAE,UAAU,EAAE,QAAQ,EAAE,aAClC,UAAU,CAAC,CAAC,CAAC,EAAE,KAAK,OAAG,UAAU,CAAC,CAAC,CAAC,EAAE,SAAS,EAC/C,UAAU,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,CACvB,gBAAM,KAAK,EAAE,EAAE,OAAO,EAAE,GAAG,EAAE,aAC1B,GAAG,EACJ,KAAC,IAAI,IAAC,IAAI,EAAC,MAAM,EAAC,IAAI,EAAE,EAAE,GAAI,OAAE,UAAU,CAAC,MAAM,GAAG,CAAC,aAChD,CACR,CAAC,CAAC,CAAC,IAAI,IACH,CACR,GACE,CACN,CAAC;AACJ,CAAC;AAED,kFAAkF;AAClF,MAAM,eAAe,GAAG;IACtB,CAAC,EAAE,iCAAiC;IACpC,CAAC,EAAE,mCAAmC;IACtC,CAAC,EAAE,mCAAmC;CAC9B,CAAC;AAEX,MAAM,WAAW,GAAG,EAAE,UAAU,EAAE,SAAS,EAAW,CAAC"}

package/lib/ir/ui/BandsPanel.d.ts

@@ -24,6 +24,10 @@ export interface BandsPanelProps {
  * Hovering a row marks the band on the chart and hovering the chart lights the
  * row, which is the whole reason the highlight is threaded through the shell
  * rather than held here: the two views are of one thing.
+ *
+ * For a technique the correlation table does not cover — Raman — the column of
+ * candidates and the button naming them are left out, and the table is the
+ * bands themselves.
  * @param props - Component props.
  * @returns The panel.
  */

package/lib/ir/ui/BandsPanel.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"BandsPanel.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/BandsPanel.tsx"],"names":[],"mappings":"AAeA,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAMhD,MAAM,WAAW,eAAe;IAC9B;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;IAC1B;;;OAGG;IACH,WAAW,CAAC,EAAE,CAAC,IAAI,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CAC7C;AAED;;;;;;;;;;;;;;;GAeG;AACH,wBAAgB,UAAU,CAAC,KAAK,EAAE,eAAe,+BA2GhD"}
+{"version":3,"file":"BandsPanel.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/BandsPanel.tsx"],"names":[],"mappings":"AAWA,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAShD,MAAM,WAAW,eAAe;IAC9B;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;IAC1B;;;OAGG;IACH,WAAW,CAAC,EAAE,CAAC,IAAI,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CAC7C;AAED;;;;;;;;;;;;;;;;;;;GAmBG;AACH,wBAAgB,UAAU,CAAC,KAAK,EAAE,eAAe,+BAqHhD"}

package/lib/ir/ui/BandsPanel.js

@@ -1,10 +1,12 @@
 import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
-import { Icon } from '@blueprintjs/core';
 import { useMemo } from 'react';
 import { Button, Toolbar } from 'react-science/ui';
-import { panelBodyStyle, panelCellStyle, panelEmptyStyle, panelHeaderCellStyle, panelNumberCellStyle, panelStyle, panelTableStyle, panelToolbarStyle, } from "../../panel/core/panelStyles.js";
+import { panelBodyStyle, panelEmptyStyle, panelHeaderCellStyle, panelStyle, panelTableStyle, panelToolbarStyle, } from "../../panel/core/panelStyles.js";
 import { sameIrBand } from "../core/irBand.js";
-import { formatIrValue, formatWavenumber } from "../core/irFormat.js";
+import { shortModeLabel } from "../core/irFormat.js";
+import { IR_TECHNIQUE_RULES } from "../core/irTechnique.js";
+import { BandRow } from "./BandRow.js";
+import { bandsToTsv } from "./bandsTsv.js";
 import { useIrActions, useIrEditorState } from "./irStateContext.js";
 /**
  * Every band of the selected spectrum, and everything each one might be.
@@ -19,6 +21,10 @@ import { useIrActions, useIrEditorState } from "./irStateContext.js";
  * Hovering a row marks the band on the chart and hovering the chart lights the
  * row, which is the whole reason the highlight is threaded through the shell
  * rather than held here: the two views are of one thing.
+ *
+ * For a technique the correlation table does not cover — Raman — the column of
+ * candidates and the button naming them are left out, and the table is the
+ * bands themselves.
  * @param props - Component props.
  * @returns The panel.
  */
@@ -26,65 +32,14 @@ export function BandsPanel(props) {
     const { highlight = null, onHighlight } = props;
     const { state, selectedSpectrum, assigned } = useIrEditorState();
     const actions = useIrActions();
-    const { mode, pickBands, showAssignments, picking } = state.settings;
+    const { mode, pickBands, showAssignments, picking, technique } = state.settings;
+    const { assignments } = IR_TECHNIQUE_RULES[technique];
     const rows = useMemo(() => assigned, [assigned]);
-    const tsv = useMemo(() => bandsToTsv(rows, mode), [rows, mode]);
-    return (_jsxs("div", { style: panelStyle, children: [_jsxs("div", { style: panelToolbarStyle, children: [_jsxs(Toolbar, { "aria-label": "Band actions", children: [_jsx(Toolbar.Item, { icon: "locate", active: pickBands, tooltip: pickBands ? 'Stop picking bands' : 'Pick the bands', "aria-label": "Pick the bands", onClick: () => actions.setSettings({ pickBands: !pickBands }) }), _jsx(Toolbar.Item, { icon: "label", active: showAssignments, tooltip: "Name the assignments on the chart", "aria-label": "Name the assignments on the chart", disabled: !pickBands, onClick: () => actions.setSettings({ showAssignments: !showAssignments }) })] }), _jsxs("label", { style: thresholdStyle, children: [_jsx("span", { style: { opacity: 0.7 }, children: "threshold" }), _jsx("input", { type: "range", min: 0.005, max: 0.3, step: 0.005, value: picking.minRelativeHeight ?? 0.02, disabled: !pickBands, "aria-label": "How tall a band must be to be picked", onChange: (event) => actions.setSettings({
+    const tsv = useMemo(() => bandsToTsv(rows, mode, assignments), [rows, mode, assignments]);
+    return (_jsxs("div", { style: panelStyle, children: [_jsxs("div", { style: panelToolbarStyle, children: [_jsxs(Toolbar, { "aria-label": "Band actions", children: [_jsx(Toolbar.Item, { icon: "locate", active: pickBands, tooltip: pickBands ? 'Stop picking bands' : 'Pick the bands', "aria-label": "Pick the bands", onClick: () => actions.setSettings({ pickBands: !pickBands }) }), assignments ? (_jsx(Toolbar.Item, { icon: "label", active: showAssignments, tooltip: "Name the assignments on the chart", "aria-label": "Name the assignments on the chart", disabled: !pickBands, onClick: () => actions.setSettings({ showAssignments: !showAssignments }) })) : null] }), _jsxs("label", { style: thresholdStyle, children: [_jsx("span", { style: { opacity: 0.7 }, children: "threshold" }), _jsx("input", { type: "range", min: 0.005, max: 0.3, step: 0.005, value: picking.minRelativeHeight ?? 0.02, disabled: !pickBands, "aria-label": "How tall a band must be to be picked", onChange: (event) => actions.setSettings({
                                     picking: { minRelativeHeight: event.target.valueAsNumber },
-                                }) })] }), _jsx("span", { style: { flex: 1 } }), _jsx(Button, { variant: "minimal", icon: "clipboard", disabled: rows.length === 0, tooltipProps: { content: 'Copy the table' }, "aria-label": "Copy the table", onClick: () => void navigator.clipboard?.writeText(tsv) })] }), _jsx("div", { style: panelBodyStyle, children: selectedSpectrum === null ? (_jsx("p", { style: panelEmptyStyle, children: "No spectrum is selected." })) : !pickBands ? (_jsx("p", { style: panelEmptyStyle, children: "The bands are not being picked. Press the locate button above to find them." })) : rows.length === 0 ? (_jsx("p", { style: panelEmptyStyle, children: "No band was found above the threshold. Lower it to pick the weaker ones." })) : (_jsxs("table", { style: panelTableStyle, children: [_jsx("thead", { children: _jsxs("tr", { children: [_jsx("th", { style: panelHeaderCellStyle, children: "cm\u207B\u00B9" }), _jsx("th", { style: panelHeaderCellStyle }), _jsx("th", { style: { ...panelHeaderCellStyle, textAlign: 'right' }, children: mode === 'absorbance' ? 'A' : '%T' }), _jsx("th", { style: panelHeaderCellStyle, children: "could be" })] }) }), _jsx("tbody", { children: rows.map((entry) => (_jsx(BandRow, { entry: entry, mode: mode, lit: sameIrBand(entry.band, highlight), onHighlight: onHighlight }, `${entry.band.spectrumId} ${entry.band.wavenumber}`))) })] })) })] }));
-}
-/**
- * One band: where it is, how strong, and every vibration it could be.
- *
- * The candidates are written as one line rather than a list, so a strong band
- * with four of them stays one row of the table and the wavenumbers keep reading
- * down the column. The `title` carries them again with each one's note, which is
- * where the reason to prefer one lives.
- * @param props - Component props.
- * @returns The row.
- */
-function BandRow(props) {
-    const { entry, mode, lit, onHighlight } = props;
-    const { band, candidates } = entry;
-    const value = mode === 'absorbance' ? band.absorbance : band.transmittance;
-    const detail = candidates
-        .map((candidate) => candidate.note === undefined
-        ? `${candidate.group} ${candidate.vibration}`
-        : `${candidate.group} ${candidate.vibration} — ${candidate.note}`)
-        .join('\n');
-    return (_jsxs("tr", { style: lit ? litRowStyle : undefined, onPointerEnter: () => onHighlight?.(band), onPointerLeave: () => onHighlight?.(null), children: [_jsx("td", { style: panelNumberCellStyle, children: formatWavenumber(band.wavenumber) }), _jsx("td", { style: panelCellStyle, title: STRENGTH_TITLES[band.strength], children: band.strength }), _jsx("td", { style: panelNumberCellStyle, children: formatIrValue(value, mode) }), _jsx("td", { style: panelCellStyle, title: detail, children: candidates.length === 0 ? (_jsx("span", { style: { opacity: 0.5 }, children: "\u2014" })) : (_jsxs("span", { style: { whiteSpace: 'normal' }, children: [candidates[0]?.group, " ", candidates[0]?.vibration, candidates.length > 1 ? (_jsxs("span", { style: { opacity: 0.6 }, children: [' ', _jsx(Icon, { icon: "more", size: 10 }), " ", candidates.length - 1, " more"] })) : null] })) })] }));
-}
-/** What each strength letter means, for the column that shows only the letter. */
-const STRENGTH_TITLES = {
-    w: 'weak, relative to this spectrum',
-    m: 'medium, relative to this spectrum',
-    S: 'strong, relative to this spectrum',
-};
-/**
- * The table as text, for pasting into a notebook.
- *
- * Tab separated with every candidate on the row, because the reason to copy a
- * band table is to put it beside a structure and argue about it — and the
- * argument is over the candidates rather than over the wavenumbers.
- * @param rows - The bands, as they are shown.
- * @param mode - Which value axis is being read.
- * @returns The table, one line per band, with a heading.
- */
-function bandsToTsv(rows, mode) {
-    const heading = ['wavenumber', 'strength', mode, 'could be'].join('\t');
-    const lines = rows.map((entry) => [
-        formatWavenumber(entry.band.wavenumber),
-        entry.band.strength,
-        formatIrValue(mode === 'absorbance'
-            ? entry.band.absorbance
-            : entry.band.transmittance, mode),
-        entry.candidates
-            .map((candidate) => `${candidate.group} ${candidate.vibration}`)
-            .join('; '),
-    ].join('\t'));
-    return [heading, ...lines].join('\n');
+                                }) })] }), _jsx("span", { style: { flex: 1 } }), _jsx(Button, { variant: "minimal", icon: "clipboard", disabled: rows.length === 0, tooltipProps: { content: 'Copy the table' }, "aria-label": "Copy the table", onClick: () => void navigator.clipboard?.writeText(tsv) })] }), _jsx("div", { style: panelBodyStyle, children: selectedSpectrum === null ? (_jsx("p", { style: panelEmptyStyle, children: "No spectrum is selected." })) : !pickBands ? (_jsx("p", { style: panelEmptyStyle, children: "The bands are not being picked. Press the locate button above to find them." })) : rows.length === 0 ? (_jsx("p", { style: panelEmptyStyle, children: "No band was found above the threshold. Lower it to pick the weaker ones." })) : (_jsxs("table", { style: panelTableStyle, children: [_jsx("thead", { children: _jsxs("tr", { children: [_jsx("th", { style: panelHeaderCellStyle, children: "cm\u207B\u00B9" }), _jsx("th", { style: panelHeaderCellStyle }), _jsx("th", { style: { ...panelHeaderCellStyle, textAlign: 'right' }, children: shortModeLabel(mode) }), assignments ? (_jsx("th", { style: panelHeaderCellStyle, children: "could be" })) : null] }) }), _jsx("tbody", { children: rows.map((entry) => (_jsx(BandRow, { entry: entry, mode: mode, assignments: assignments, lit: sameIrBand(entry.band, highlight), onHighlight: onHighlight }, `${entry.band.spectrumId} ${entry.band.wavenumber}`))) })] })) })] }));
 }
-const litRowStyle = { background: '#fff3e0' };
 const thresholdStyle = {
     display: 'inline-flex',
     alignItems: 'center',

package/lib/ir/ui/BandsPanel.js.map

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+{"version":3,"file":"BandsPanel.js","sourceRoot":"","sources":["../../../src/ir/ui/BandsPanel.tsx"],"names":[],"mappings":";AAAA,OAAO,EAAE,OAAO,EAAE,MAAM,OAAO,CAAC;AAChC,OAAO,EAAE,MAAM,EAAE,OAAO,EAAE,MAAM,kBAAkB,CAAC;AAEnD,OAAO,EACL,cAAc,EACd,eAAe,EACf,oBAAoB,EACpB,UAAU,EACV,eAAe,EACf,iBAAiB,GAClB,MAAM,iCAAiC,CAAC;AAEzC,OAAO,EAAE,UAAU,EAAE,MAAM,mBAAmB,CAAC;AAC/C,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,kBAAkB,EAAE,MAAM,wBAAwB,CAAC;AAE5D,OAAO,EAAE,OAAO,EAAE,MAAM,cAAe,CAAC;AACxC,OAAO,EAAE,UAAU,EAAE,MAAM,eAAe,CAAC;AAC3C,OAAO,EAAE,YAAY,EAAE,gBAAgB,EAAE,MAAM,qBAAqB,CAAC;AAerE;;;;;;;;;;;;;;;;;;;GAmBG;AACH,MAAM,UAAU,UAAU,CAAC,KAAsB;IAC/C,MAAM,EAAE,SAAS,GAAG,IAAI,EAAE,WAAW,EAAE,GAAG,KAAK,CAAC;IAChD,MAAM,EAAE,KAAK,EAAE,gBAAgB,EAAE,QAAQ,EAAE,GAAG,gBAAgB,EAAE,CAAC;IACjE,MAAM,OAAO,GAAG,YAAY,EAAE,CAAC;IAC/B,MAAM,EAAE,IAAI,EAAE,SAAS,EAAE,eAAe,EAAE,OAAO,EAAE,SAAS,EAAE,GAC5D,KAAK,CAAC,QAAQ,CAAC;IACjB,MAAM,EAAE,WAAW,EAAE,GAAG,kBAAkB,CAAC,SAAS,CAAC,CAAC;IAEtD,MAAM,IAAI,GAAG,OAAO,CAAC,GAAG,EAAE,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC;IAEjD,MAAM,GAAG,GAAG,OAAO,CACjB,GAAG,EAAE,CAAC,UAAU,CAAC,IAAI,EAAE,IAAI,EAAE,WAAW,CAAC,EACzC,CAAC,IAAI,EAAE,IAAI,EAAE,WAAW,CAAC,CAC1B,CAAC;IAEF,OAAO,CACL,eAAK,KAAK,EAAE,UAAU,aACpB,eAAK,KAAK,EAAE,iBAAiB,aAC3B,MAAC,OAAO,kBAAY,cAAc,aAChC,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAC,QAAQ,EACb,MAAM,EAAE,SAAS,EACjB,OAAO,EAAE,SAAS,CAAC,CAAC,CAAC,oBAAoB,CAAC,CAAC,CAAC,gBAAgB,gBACjD,gBAAgB,EAC3B,OAAO,EAAE,GAAG,EAAE,CAAC,OAAO,CAAC,WAAW,CAAC,EAAE,SAAS,EAAE,CAAC,SAAS,EAAE,CAAC,GAC7D,EACD,WAAW,CAAC,CAAC,CAAC,CACb,KAAC,OAAO,CAAC,IAAI,IACX,IAAI,EAAC,OAAO,EACZ,MAAM,EAAE,eAAe,EACvB,OAAO,EAAC,mCAAmC,gBAChC,mCAAmC,EAC9C,QAAQ,EAAE,CAAC,SAAS,EACpB,OAAO,EAAE,GAAG,EAAE,CACZ,OAAO,CAAC,WAAW,CAAC,EAAE,eAAe,EAAE,CAAC,eAAe,EAAE,CAAC,GAE5D,CACH,CAAC,CAAC,CAAC,IAAI,IACA,EAKV,iBAAO,KAAK,EAAE,cAAc,aAC1B,eAAM,KAAK,EAAE,EAAE,OAAO,EAAE,GAAG,EAAE,0BAAkB,EAC/C,gBACE,IAAI,EAAC,OAAO,EACZ,GAAG,EAAE,KAAK,EACV,GAAG,EAAE,GAAG,EACR,IAAI,EAAE,KAAK,EACX,KAAK,EAAE,OAAO,CAAC,iBAAiB,IAAI,IAAI,EACxC,QAAQ,EAAE,CAAC,SAAS,gBACT,sCAAsC,EACjD,QAAQ,EAAE,CAAC,KAAK,EAAE,EAAE,CAClB,OAAO,CAAC,WAAW,CAAC;oCAClB,OAAO,EAAE,EAAE,iBAAiB,EAAE,KAAK,CAAC,MAAM,CAAC,aAAa,EAAE;iCAC3D,CAAC,GAEJ,IACI,EAER,eAAM,KAAK,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,GAAI,EAE5B,KAAC,MAAM,IACL,OAAO,EAAC,SAAS,EACjB,IAAI,EAAC,WAAW,EAChB,QAAQ,EAAE,IAAI,CAAC,MAAM,KAAK,CAAC,EAC3B,YAAY,EAAE,EAAE,OAAO,EAAE,gBAAgB,EAAE,gBAChC,gBAAgB,EAC3B,OAAO,EAAE,GAAG,EAAE,CAAC,KAAK,SAAS,CAAC,SAAS,EAAE,SAAS,CAAC,GAAG,CAAC,GACvD,IACE,EAEN,cAAK,KAAK,EAAE,cAAc,YACvB,gBAAgB,KAAK,IAAI,CAAC,CAAC,CAAC,CAC3B,YAAG,KAAK,EAAE,eAAe,yCAA8B,CACxD,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,CACf,YAAG,KAAK,EAAE,eAAe,4FAGrB,CACL,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,KAAK,CAAC,CAAC,CAAC,CAAC,CACtB,YAAG,KAAK,EAAE,eAAe,yFAGrB,CACL,CAAC,CAAC,CAAC,CACF,iBAAO,KAAK,EAAE,eAAe,aAC3B,0BACE,yBACE,aAAI,KAAK,EAAE,oBAAoB,+BAAW,EAC1C,aAAI,KAAK,EAAE,oBAAoB,GAAI,EACnC,aAAI,KAAK,EAAE,EAAE,GAAG,oBAAoB,EAAE,SAAS,EAAE,OAAO,EAAE,YACvD,cAAc,CAAC,IAAI,CAAC,GAClB,EACJ,WAAW,CAAC,CAAC,CAAC,CACb,aAAI,KAAK,EAAE,oBAAoB,yBAAe,CAC/C,CAAC,CAAC,CAAC,IAAI,IACL,GACC,EACR,0BACG,IAAI,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,CACnB,KAAC,OAAO,IAEN,KAAK,EAAE,KAAK,EACZ,IAAI,EAAE,IAAI,EACV,WAAW,EAAE,WAAW,EACxB,GAAG,EAAE,UAAU,CAAC,KAAK,CAAC,IAAI,EAAE,SAAS,CAAC,EACtC,WAAW,EAAE,WAAW,IALnB,GAAG,KAAK,CAAC,IAAI,CAAC,UAAU,IAAI,KAAK,CAAC,IAAI,CAAC,UAAU,EAAE,CAMxD,CACH,CAAC,GACI,IACF,CACT,GACG,IACF,CACP,CAAC;AACJ,CAAC;AAED,MAAM,cAAc,GAAG;IACrB,OAAO,EAAE,aAAa;IACtB,UAAU,EAAE,QAAQ;IACpB,GAAG,EAAE,CAAC;IACN,QAAQ,EAAE,EAAE;CACJ,CAAC"}

package/lib/ir/ui/IrAboutDialog.d.ts

@@ -1,8 +1,15 @@
+import type { IrTechnique } from '../core/irTechnique.ts';
 export interface IrAboutDialogProps {
     /** Whether the dialog is open. */
     isOpen: boolean;
     /** Close it. */
     onClose: () => void;
+    /**
+     * What the spectra were measured with, which decides what the viewer says it
+     * does and whom it credits for it.
+     * @default 'infrared'
+     */
+    technique?: IrTechnique;
 }
 /**
  * What the viewer is, what it stands on, and who is owed for it.

package/lib/ir/ui/IrAboutDialog.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"IrAboutDialog.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/IrAboutDialog.tsx"],"names":[],"mappings":"AAIA,MAAM,WAAW,kBAAkB;IACjC,kCAAkC;IAClC,MAAM,EAAE,OAAO,CAAC;IAChB,gBAAgB;IAChB,OAAO,EAAE,MAAM,IAAI,CAAC;CACrB;AAED;;;;;;;;;GASG;AACH,wBAAgB,aAAa,CAAC,KAAK,EAAE,kBAAkB,+BAkEtD"}
+{"version":3,"file":"IrAboutDialog.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/IrAboutDialog.tsx"],"names":[],"mappings":"AAKA,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAK1D,MAAM,WAAW,kBAAkB;IACjC,kCAAkC;IAClC,MAAM,EAAE,OAAO,CAAC;IAChB,gBAAgB;IAChB,OAAO,EAAE,MAAM,IAAI,CAAC;IACpB;;;;OAIG;IACH,SAAS,CAAC,EAAE,WAAW,CAAC;CACzB;AAED;;;;;;;;;GASG;AACH,wBAAgB,aAAa,CAAC,KAAK,EAAE,kBAAkB,+BAyFtD"}

package/lib/ir/ui/IrAboutDialog.js

@@ -1,6 +1,10 @@
-import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { jsx as _jsx, jsxs as _jsxs, Fragment as _Fragment } from "react/jsx-runtime";
 import { Dialog, DialogBody } from '@blueprintjs/core';
+import { Prose } from "../../i18n/ui/Prose.js";
+import { useChromeT } from "../../i18n/ui/useT.js";
+import { irCommands } from "../core/irCommands.js";
 import { IrLogo } from "./IrLogo.js";
+import { useIrText } from "./useIrText.js";
 /**
  * What the viewer is, what it stands on, and who is owed for it.
  *
@@ -12,9 +16,18 @@ import { IrLogo } from "./IrLogo.js";
  * @returns The dialog.
  */
 export function IrAboutDialog(props) {
-    const { isOpen, onClose } = props;
-    return (_jsx(Dialog, { isOpen: isOpen, onClose: onClose, title: "About the infrared viewer", icon: _jsx(IrLogo, { size: 20 }), style: dialogStyle, children: _jsxs(DialogBody, { children: [_jsxs("div", { style: brandStyle, children: [_jsx(IrLogo, { size: 64 }), _jsxs("div", { children: [_jsx("p", { style: leadStyle, children: "react-cheminfo/ir" }), _jsx("p", { style: paragraphStyle, children: "Draws an infrared spectrum the way infrared is printed, reads it as absorbance or as percent transmittance, picks its bands and offers every functional group each band could be." })] })] }), _jsx("h4", { style: headingStyle, children: "Credits" }), _jsxs("ul", { style: listStyle, children: [_jsxs("li", { children: [_jsx("strong", { children: "ir-spectrum" }), " (cheminfo, MIT) reads the JCAMP-DX and SPC files, derives the absorbance/transmittance pair, and picks the bands. This package deliberately does none of that arithmetic itself."] }), _jsxs("li", { children: [_jsx("strong", { children: "common-spectrum" }), ", ", _jsx("strong", { children: "jcampconverter" }), ' ', "and ", _jsx("strong", { children: "spc-parser" }), " (cheminfo, MIT) are what it reads through."] }), _jsxs("li", { children: [_jsx("strong", { children: "ml-spectra-processing" }), " (mljs, MIT) for the array work."] }), _jsxs("li", { children: ["The ", _jsx("strong", { children: "shared chart" }), " of this package for the drawing \u2014 the same arithmetic every other spectrum viewer of the family is drawn with."] }), _jsxs("li", { children: [_jsx("strong", { children: "react-science" }), " and ", _jsx("strong", { children: "BlueprintJS" }), "(zakodium, Palantir) for the shell this viewer is shaped like."] }), _jsxs("li", { children: ["The ", _jsx("strong", { children: "correlation table" }), " is the conventional teaching set of group frequencies, as any introductory spectroscopy text tabulates them. The ranges are deliberately the rounded, generous ones: narrowing them to look precise would rule out assignments that are genuinely possible."] }), _jsxs("li", { children: ["The ", _jsx("strong", { children: "colours" }), " are Okabe and Ito's colour-universal palette, so two traces stay distinguishable for a reader with a colour vision deficiency."] })] })] }) }));
+    const { isOpen, onClose, technique = 'infrared' } = props;
+    const t = useChromeT();
+    const title = (useIrText(technique).command('about') ?? irCommands.about)
+        .title;
+    const raman = technique === 'raman';
+    return (_jsx(Dialog, { isOpen: isOpen, onClose: onClose, title: title, icon: _jsx(IrLogo, { size: 20, technique: technique }), style: dialogStyle, children: _jsxs(DialogBody, { children: [_jsxs("div", { style: brandStyle, children: [_jsx(IrLogo, { size: 64, technique: technique }), _jsxs("div", { children: [_jsx("p", { style: leadStyle, children: DOORS[technique] }), raman ? (_jsx("p", { style: paragraphStyle, children: t('ir.raman.aboutLead') })) : (_jsx("p", { style: paragraphStyle, children: "Draws an infrared spectrum the way infrared is printed, reads it as absorbance or as percent transmittance, picks its bands and offers every functional group each band could be." }))] })] }), _jsx("h4", { style: headingStyle, children: "Credits" }), _jsxs("ul", { style: listStyle, children: [raman ? (_jsxs(_Fragment, { children: [_jsx("li", { children: _jsx(Prose, { text: t('ir.raman.credit.picking') }) }), _jsx("li", { children: _jsx(Prose, { text: t('ir.raman.credit.jcamp') }) })] })) : (_jsxs(_Fragment, { children: [_jsxs("li", { children: [_jsx("strong", { children: "ir-spectrum" }), " (cheminfo, MIT) reads the JCAMP-DX and SPC files, derives the absorbance/transmittance pair, and picks the bands. This package deliberately does none of that arithmetic itself."] }), _jsxs("li", { children: [_jsx("strong", { children: "common-spectrum" }), ",", ' ', _jsx("strong", { children: "jcampconverter" }), " and ", _jsx("strong", { children: "spc-parser" }), ' ', "(cheminfo, MIT) are what it reads through."] })] })), _jsxs("li", { children: [_jsx("strong", { children: "ml-spectra-processing" }), " (mljs, MIT) for the array work."] }), _jsxs("li", { children: ["The ", _jsx("strong", { children: "shared chart" }), " of this package for the drawing \u2014 the same arithmetic every other spectrum viewer of the family is drawn with."] }), _jsxs("li", { children: [_jsx("strong", { children: "react-science" }), " and ", _jsx("strong", { children: "BlueprintJS" }), "(zakodium, Palantir) for the shell this viewer is shaped like."] }), raman ? null : (_jsxs("li", { children: ["The ", _jsx("strong", { children: "correlation table" }), " is the conventional teaching set of group frequencies, as any introductory spectroscopy text tabulates them. The ranges are deliberately the rounded, generous ones: narrowing them to look precise would rule out assignments that are genuinely possible."] })), _jsxs("li", { children: ["The ", _jsx("strong", { children: "colours" }), " are Okabe and Ito's colour-universal palette, so two traces stay distinguishable for a reader with a colour vision deficiency."] })] })] }) }));
 }
+/** The entry point each technique's viewer is imported from. */
+const DOORS = {
+    infrared: 'react-cheminfo/ir',
+    raman: 'react-cheminfo/raman',
+};
 const dialogStyle = { width: 'min(680px, 92vw)' };
 const brandStyle = {
     display: 'flex',

package/lib/ir/ui/IrAboutDialog.js.map

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package/lib/ir/ui/IrCanvas.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"IrCanvas.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/IrCanvas.tsx"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAOhD,MAAM,WAAW,aAAa;IAC5B;;;;OAIG;IACH,SAAS,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;IAC1B;;;OAGG;IACH,WAAW,CAAC,EAAE,CAAC,IAAI,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;IAC5C;;;;;OAKG;IACH,WAAW,CAAC,EAAE,CAAC,OAAO,EAAE,cAAc,GAAG,IAAI,KAAK,IAAI,CAAC;IACvD;;;;OAIG;IACH,OAAO,CAAC,EAAE,MAAM,CAAC;CAClB;AAED;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,QAAQ,CAAC,KAAK,EAAE,aAAa,+BAkC5C"}
+{"version":3,"file":"IrCanvas.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/IrCanvas.tsx"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAOhD,MAAM,WAAW,aAAa;IAC5B;;;;OAIG;IACH,SAAS,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;IAC1B;;;OAGG;IACH,WAAW,CAAC,EAAE,CAAC,IAAI,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;IAC5C;;;;;OAKG;IACH,WAAW,CAAC,EAAE,CAAC,OAAO,EAAE,cAAc,GAAG,IAAI,KAAK,IAAI,CAAC;IACvD;;;;OAIG;IACH,OAAO,CAAC,EAAE,MAAM,CAAC;CAClB;AAED;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,QAAQ,CAAC,KAAK,EAAE,aAAa,+BAmC5C"}

package/lib/ir/ui/IrCanvas.js

@@ -23,11 +23,11 @@ export function IrCanvas(props) {
     const { state, visibleSpectra, assigned } = useIrEditorState();
     const actions = useIrActions();
     const { domain, tool, selectedId } = state.view;
-    const { mode, showAssignments, labelLimit } = state.settings;
+    const { technique, mode, showAssignments, labelLimit } = state.settings;
     const onDomainChange = useCallback((next) => {
         actions.setDomain(next);
     }, [actions]);
-    return (_jsxs("div", { style: rootStyle, children: [_jsx("div", { ref: attachChart, id: chartId, style: chartStyle, children: _jsx(IrChart, { spectra: visibleSpectra, mode: mode, assigned: assigned, showAssignments: showAssignments, labelLimit: labelLimit, highlight: highlight, onHighlight: onHighlight, domain: domain, onDomainChange: onDomainChange, drag: tool === 'box' ? 'box' : 'xAxis', emphasisedId: selectedId }) }), _jsx(IrStatusBar, {})] }));
+    return (_jsxs("div", { style: rootStyle, children: [_jsx("div", { ref: attachChart, id: chartId, style: chartStyle, children: _jsx(IrChart, { spectra: visibleSpectra, technique: technique, mode: mode, assigned: assigned, showAssignments: showAssignments, labelLimit: labelLimit, highlight: highlight, onHighlight: onHighlight, domain: domain, onDomainChange: onDomainChange, drag: tool === 'box' ? 'box' : 'xAxis', emphasisedId: selectedId }) }), _jsx(IrStatusBar, {})] }));
 }
 const rootStyle = {
     display: 'flex',

package/lib/ir/ui/IrCanvas.js.map

@@ -1 +1 @@
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package/lib/ir/ui/IrChart.d.ts

@@ -9,7 +9,8 @@ import type { IrChartProps } from './irChartProps.ts';
  * building the scale onto a reversed pixel range and nothing else: the data stays
  * in ascending wavenumbers, every window stays low end first, and no other piece
  * of arithmetic in either package has to know. That is the whole reason
- * `createScale` takes its range rather than deriving it.
+ * `createScale` takes its range rather than deriving it. A Raman spectrum is
+ * drawn the other way, low shifts at the left, by the same means.
  *
  * The axes go under the data, so a grid line is never read as a band. Only the
  * data band is clipped, so a zoomed trace stops at the plot edge while the