react-cheminfo 0.28.0 → 0.29.0

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

@@ -0,0 +1,59 @@
+/**
+ * Turning what a reader produced into what the viewer holds.
+ *
+ * A reader answers about a file and knows nothing about the session it is being
+ * read into — which spectra are already open, what colours they took, what this
+ * one should be called. That is the gap this closes, and it is the only place an
+ * identity or a colour is invented.
+ */
+import type { LoadedIrSpectrum } from './analysisSpectra.ts';
+import type { IrSpectrum } from './irSpectrum.ts';
+/** What has to be decided for a loaded spectrum to become a held one. */
+export interface ToIrSpectrumOptions {
+    /**
+     * Identity, which every later edit and selection is keyed on.
+     * @default a fresh UUID
+     */
+    id?: string;
+    /**
+     * The colour to draw it in.
+     * @default the lowest hue not in `taken`
+     */
+    color?: string;
+    /**
+     * The colours the spectra already open have taken, so a new one is told apart
+     * from them. Ignored when `color` says outright.
+     * @default no colours taken
+     */
+    taken?: readonly string[];
+    /**
+     * What to call it, overriding the file's own title.
+     * @default the file's title, then its name, then `spectrum`
+     */
+    name?: string;
+    /**
+     * Whether it is drawn as soon as it is added.
+     * @default true
+     */
+    visible?: boolean;
+}
+/**
+ * Make a held spectrum out of a read one.
+ * @param loaded - What the reader produced.
+ * @param options - The identity, colour and name to give it.
+ * @returns The spectrum as the viewer holds it.
+ */
+export declare function toIrSpectrum(loaded: LoadedIrSpectrum, options?: ToIrSpectrumOptions): IrSpectrum;
+/**
+ * Make held spectra out of everything one file held.
+ *
+ * The colours are handed out one at a time against a growing list, so a file
+ * carrying a sample and its background gives two spectra of two colours rather
+ * than two of the same — `nextSpectrumColor` can only answer that if it is told
+ * what the previous call took.
+ * @param loaded - What the reader produced, in file order.
+ * @param options - The colours already taken, and whether the spectra are drawn.
+ * @returns The spectra, in the same order.
+ */
+export declare function toIrSpectra(loaded: readonly LoadedIrSpectrum[], options?: Pick<ToIrSpectrumOptions, 'taken' | 'visible'>): IrSpectrum[];
+//# sourceMappingURL=toIrSpectrum.d.ts.map

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

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

@@ -0,0 +1,56 @@
+/**
+ * Turning what a reader produced into what the viewer holds.
+ *
+ * A reader answers about a file and knows nothing about the session it is being
+ * read into — which spectra are already open, what colours they took, what this
+ * one should be called. That is the gap this closes, and it is the only place an
+ * identity or a colour is invented.
+ */
+import { nextSpectrumColor } from "../../chart/core/spectrumColor.js";
+/**
+ * Make a held spectrum out of a read one.
+ * @param loaded - What the reader produced.
+ * @param options - The identity, colour and name to give it.
+ * @returns The spectrum as the viewer holds it.
+ */
+export function toIrSpectrum(loaded, options = {}) {
+    const { id = crypto.randomUUID(), taken = [], name, visible = true, } = options;
+    const color = options.color ?? nextSpectrumColor(taken);
+    return {
+        id,
+        name: name ?? loaded.name ?? loaded.origin.fileName ?? 'spectrum',
+        color,
+        wavenumber: loaded.wavenumber,
+        absorbance: loaded.absorbance,
+        transmittance: loaded.transmittance,
+        meta: loaded.meta,
+        origin: loaded.origin,
+        visible,
+    };
+}
+/**
+ * Make held spectra out of everything one file held.
+ *
+ * The colours are handed out one at a time against a growing list, so a file
+ * carrying a sample and its background gives two spectra of two colours rather
+ * than two of the same — `nextSpectrumColor` can only answer that if it is told
+ * what the previous call took.
+ * @param loaded - What the reader produced, in file order.
+ * @param options - The colours already taken, and whether the spectra are drawn.
+ * @returns The spectra, in the same order.
+ */
+export function toIrSpectra(loaded, options = {}) {
+    const { taken = [], visible } = options;
+    const colors = [...taken];
+    const spectra = [];
+    for (const entry of loaded) {
+        const spectrum = toIrSpectrum(entry, {
+            taken: colors,
+            ...(visible === undefined ? {} : { visible }),
+        });
+        colors.push(spectrum.color);
+        spectra.push(spectrum);
+    }
+    return spectra;
+}
+//# sourceMappingURL=toIrSpectrum.js.map

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

@@ -0,0 +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"}

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

@@ -0,0 +1,52 @@
+import type { ReactElement } from 'react';
+import type { PlotRect } from '../../chart/core/chartGeometry.ts';
+import type { ChartScale } from '../../chart/core/chartScale.ts';
+import type { AssignedBand } from '../core/assignBands.ts';
+import type { IrBand } from '../core/irBand.ts';
+import type { IrMode } from '../core/irSpectrum.ts';
+export interface BandMarksProps {
+    /** The bands to mark, with whatever the table said about them. */
+    assigned: readonly AssignedBand[];
+    /** Where the plot sits inside the SVG. */
+    plot: PlotRect;
+    /** The wavenumber axis as it is currently zoomed. */
+    xScale: ChartScale;
+    /** The value axis as it is currently zoomed. */
+    yScale: ChartScale;
+    /** Which value axis is being drawn. */
+    mode: IrMode;
+    /**
+     * Whether each label names the assignment as well as the wavenumber.
+     * @default false
+     */
+    showAssignments?: boolean;
+    /**
+     * At most how many bands are named. Marks are drawn on all of them.
+     * @default 12
+     */
+    limit?: number;
+    /**
+     * The band the pointer has come to rest on, drawn larger, `null` for none.
+     * @default null
+     */
+    highlight?: IrBand | null;
+}
+/**
+ * A mark on every band, and a label on the ones there is room for.
+ *
+ * The mark reaches *away* from the label, into the band, because the clear space
+ * on the label's side is where the numbers are written and the mark is there to
+ * say which band they are about. So in transmittance both hang downwards from a
+ * dip and in absorbance both rise from a maximum, and the pair reads the same way
+ * up in either.
+ *
+ * A leader line is drawn only when a label had to be slid off its band to clear
+ * its neighbours — a leader from a label that is already directly above its band
+ * is a line saying what the position already said. A label slid too far is not
+ * drawn at all; the mark still says the band is there, which is the honest
+ * outcome, where a label hanging over a band it says nothing about is not.
+ * @param props - Component props.
+ * @returns The marks and labels, as SVG.
+ */
+export declare function BandMarks(props: BandMarksProps): ReactElement;
+//# sourceMappingURL=BandMarks.d.ts.map

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

@@ -0,0 +1 @@
+{"version":3,"file":"BandMarks.d.ts","sourceRoot":"","sources":["../../../src/ir/ui/BandMarks.tsx"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,OAAO,CAAC;AAG1C,OAAO,KAAK,EAAE,QAAQ,EAAE,MAAM,mCAAmC,CAAC;AAClE,OAAO,KAAK,EAAE,UAAU,EAAE,MAAM,gCAAgC,CAAC;AAMjE,OAAO,KAAK,EAAE,YAAY,EAAE,MAAM,wBAAwB,CAAC;AAE3D,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,mBAAmB,CAAC;AAGhD,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,uBAAuB,CAAC;AAEpD,MAAM,WAAW,cAAc;IAC7B,kEAAkE;IAClE,QAAQ,EAAE,SAAS,YAAY,EAAE,CAAC;IAClC,0CAA0C;IAC1C,IAAI,EAAE,QAAQ,CAAC;IACf,qDAAqD;IACrD,MAAM,EAAE,UAAU,CAAC;IACnB,gDAAgD;IAChD,MAAM,EAAE,UAAU,CAAC;IACnB,uCAAuC;IACvC,IAAI,EAAE,MAAM,CAAC;IACb;;;OAGG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC;IAC1B;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;CAC3B;AAED;;;;;;;;;;;;;;;;GAgBG;AACH,wBAAgB,SAAS,CAAC,KAAK,EAAE,cAAc,GAAG,YAAY,CAyE7D"}

package/lib/ir/ui/BandMarks.js

@@ -0,0 +1,71 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { useMemo } from 'react';
+import { CHART_COLORS, CHART_FONT, LABEL_HALO, } from "../../chart/core/chartTheme.js";
+import { BAND_MARK, planBandLabels } from "../core/bandLabelPlan.js";
+import { sameIrBand } from "../core/irBand.js";
+import { bandsPointDown } from "../core/irMode.js";
+/**
+ * A mark on every band, and a label on the ones there is room for.
+ *
+ * The mark reaches *away* from the label, into the band, because the clear space
+ * on the label's side is where the numbers are written and the mark is there to
+ * say which band they are about. So in transmittance both hang downwards from a
+ * dip and in absorbance both rise from a maximum, and the pair reads the same way
+ * up in either.
+ *
+ * A leader line is drawn only when a label had to be slid off its band to clear
+ * its neighbours — a leader from a label that is already directly above its band
+ * is a line saying what the position already said. A label slid too far is not
+ * drawn at all; the mark still says the band is there, which is the honest
+ * outcome, where a label hanging over a band it says nothing about is not.
+ * @param props - Component props.
+ * @returns The marks and labels, as SVG.
+ */
+export function BandMarks(props) {
+    const { assigned, plot, xScale, yScale, mode, showAssignments = false, limit = 12, highlight = null, } = props;
+    const plans = useMemo(() => planBandLabels({
+        assigned,
+        plot,
+        xScale,
+        yScale,
+        mode,
+        showAssignments,
+        limit,
+    }), [assigned, plot, xScale, yScale, mode, showAssignments, limit]);
+    const down = bandsPointDown(mode);
+    const reach = down ? BAND_MARK : -BAND_MARK;
+    return (_jsx("g", { pointerEvents: "none", children: plans.map((plan) => {
+            const highlighted = sameIrBand(plan.band, highlight);
+            const dropped = !Number.isFinite(plan.labelX);
+            const firstBaseline = plan.baselines[0];
+            const slid = !dropped && Math.abs(plan.labelX - plan.tipX) > LEADER_AT;
+            return (_jsxs("g", { children: [_jsx("line", { x1: plan.tipX, y1: plan.tipY, x2: plan.tipX, y2: plan.tipY + reach, style: highlighted ? highlightMarkStyle : markStyle, strokeWidth: highlighted ? 2 : 1 }), slid && firstBaseline !== undefined ? (_jsx("line", { x1: plan.tipX, y1: plan.tipY + reach, x2: plan.labelX, y2: firstBaseline, style: leaderStyle })) : null, dropped
+                        ? null
+                        : plan.lines.map((line, index) => (_jsx("text", { x: plan.labelX, y: plan.baselines[index], textAnchor: "middle", style: highlighted ? highlightTextStyle : textStyle, children: line }, line)))] }, `${plan.band.spectrumId} ${plan.band.wavenumber}`));
+        }) }));
+}
+/**
+ * How far a label may sit from its band before a leader is drawn to it.
+ *
+ * Two pixels: below that the label is over its band and a leader would be a
+ * line nobody needs, and the declutter sweep leaves most labels within a pixel
+ * of where they wanted to be.
+ */
+const LEADER_AT = 2;
+const markStyle = { stroke: CHART_COLORS.annotation };
+const highlightMarkStyle = { stroke: CHART_COLORS.highlight };
+const leaderStyle = { stroke: CHART_COLORS.leader };
+// Haloed: an infrared label is written over the trace as often as beside it,
+// since a band is named where it dips and the neighbouring bands dip too.
+const textStyle = {
+    fill: CHART_COLORS.labelText,
+    fontSize: CHART_FONT.label,
+    ...LABEL_HALO,
+};
+const highlightTextStyle = {
+    fill: CHART_COLORS.highlight,
+    fontSize: CHART_FONT.label,
+    fontWeight: 600,
+    ...LABEL_HALO,
+};
+//# sourceMappingURL=BandMarks.js.map

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

@@ -0,0 +1 @@
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package/lib/ir/ui/BandsPanel.d.ts

@@ -0,0 +1,31 @@
+import type { IrBand } from '../core/irBand.ts';
+export interface BandsPanelProps {
+    /**
+     * The band the pointer is resting on, wherever it was hovered.
+     * @default null
+     */
+    highlight?: IrBand | null;
+    /**
+     * Told which band a row is hovered, so the chart can mark it.
+     * @default undefined
+     */
+    onHighlight?: (band: IrBand | null) => void;
+}
+/**
+ * Every band of the selected spectrum, and everything each one might be.
+ *
+ * This is the panel the viewer exists for. A trace can be looked at on its own;
+ * it is the table beside it that lets it be *read*, and the column that matters
+ * is the last one — **every** vibration whose range contains the band, not the
+ * best-fitting one. A band at 1715 cm⁻¹ genuinely is a ketone, an aldehyde and a
+ * carboxylic acid until something else decides, and a panel that named one would
+ * be asserting a structure the spectrum does not determine.
+ *
+ * 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.
+ * @param props - Component props.
+ * @returns The panel.
+ */
+export declare function BandsPanel(props: BandsPanelProps): import("react").JSX.Element;
+//# sourceMappingURL=BandsPanel.d.ts.map

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

@@ -0,0 +1 @@
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package/lib/ir/ui/BandsPanel.js

@@ -0,0 +1,94 @@
+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 { sameIrBand } from "../core/irBand.js";
+import { formatIrValue, formatWavenumber } from "../core/irFormat.js";
+import { useIrActions, useIrEditorState } from "./irStateContext.js";
+/**
+ * Every band of the selected spectrum, and everything each one might be.
+ *
+ * This is the panel the viewer exists for. A trace can be looked at on its own;
+ * it is the table beside it that lets it be *read*, and the column that matters
+ * is the last one — **every** vibration whose range contains the band, not the
+ * best-fitting one. A band at 1715 cm⁻¹ genuinely is a ketone, an aldehyde and a
+ * carboxylic acid until something else decides, and a panel that named one would
+ * be asserting a structure the spectrum does not determine.
+ *
+ * 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.
+ * @param props - Component props.
+ * @returns The panel.
+ */
+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 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({
+                                    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');
+}
+const litRowStyle = { background: '#fff3e0' };
+const thresholdStyle = {
+    display: 'inline-flex',
+    alignItems: 'center',
+    gap: 4,
+    fontSize: 11,
+};
+//# sourceMappingURL=BandsPanel.js.map

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

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

@@ -0,0 +1,18 @@
+export interface IrAboutDialogProps {
+    /** Whether the dialog is open. */
+    isOpen: boolean;
+    /** Close it. */
+    onClose: () => void;
+}
+/**
+ * What the viewer is, what it stands on, and who is owed for it.
+ *
+ * The credits are not decoration. Every band this viewer names is named out of a
+ * correlation table that generations of chemists compiled, every file it opens is
+ * read by somebody else's parser, and the examples it opens on are somebody
+ * else's measurements — so each is named here, with its licence where it has one.
+ * @param props - Component props.
+ * @returns The dialog.
+ */
+export declare function IrAboutDialog(props: IrAboutDialogProps): import("react").JSX.Element;
+//# sourceMappingURL=IrAboutDialog.d.ts.map

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

@@ -0,0 +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,+BA+EtD"}

package/lib/ir/ui/IrAboutDialog.js

@@ -0,0 +1,32 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { Dialog, DialogBody } from '@blueprintjs/core';
+import { IrLogo } from "./IrLogo.js";
+/**
+ * What the viewer is, what it stands on, and who is owed for it.
+ *
+ * The credits are not decoration. Every band this viewer names is named out of a
+ * correlation table that generations of chemists compiled, every file it opens is
+ * read by somebody else's parser, and the examples it opens on are somebody
+ * else's measurements — so each is named here, with its licence where it has one.
+ * @param props - Component props.
+ * @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."] })] }), _jsx("h4", { style: headingStyle, children: "Licence" }), _jsxs("p", { style: paragraphStyle, children: ["MIT, in the", ' ', _jsx("a", { href: "https://github.com/cheminfo/glycans", target: "_blank", rel: "noopener noreferrer", children: "cheminfo/glycans" }), ' ', "monorepo."] })] }) }));
+}
+const dialogStyle = { width: 'min(680px, 92vw)' };
+const brandStyle = {
+    display: 'flex',
+    alignItems: 'flex-start',
+    gap: 16,
+};
+const leadStyle = {
+    margin: '0 0 4px',
+    fontWeight: 600,
+    fontSize: 16,
+};
+const paragraphStyle = { margin: '0 0 6px' };
+const headingStyle = { margin: '14px 0 4px' };
+const listStyle = { margin: 0, paddingLeft: 20 };
+//# sourceMappingURL=IrAboutDialog.js.map

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

@@ -0,0 +1 @@
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package/lib/ir/ui/IrCanvas.d.ts

@@ -0,0 +1,38 @@
+import type { IrBand } from '../core/irBand.ts';
+export interface IrCanvasProps {
+    /**
+     * The band the pointer is resting on, wherever it was hovered — the chart or
+     * the band table.
+     * @default null
+     */
+    highlight?: IrBand | null;
+    /**
+     * Told which band the pointer has come to rest on.
+     * @default undefined
+     */
+    onHighlight?: (band: IrBand | null) => void;
+    /**
+     * Put on the box the chart is drawn in, so a picture can be taken of it. The
+     * box rather than the chart itself, because the chart is laid out again on
+     * every resize.
+     * @default undefined
+     */
+    attachChart?: (element: HTMLDivElement | null) => void;
+}
+/**
+ * The chart, and the status bar under it.
+ *
+ * This is where the state meets the drawing: the chart holds nothing, so
+ * everything it draws is read out of the state here and every gesture it reports
+ * is written back. The window in particular goes **both** ways — the chart is
+ * told what to show and reports what it arrives at — which is what lets a toolbar
+ * button and a drag both move it.
+ *
+ * The status bar is inside the canvas rather than under the whole shell, so it
+ * stops at the splitter: what is open on the right belongs to the chart, and a
+ * bar running under the panels as well would read as belonging to the page.
+ * @param props - Component props.
+ * @returns The canvas.
+ */
+export declare function IrCanvas(props: IrCanvasProps): import("react").JSX.Element;
+//# sourceMappingURL=IrCanvas.d.ts.map

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

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package/lib/ir/ui/IrCanvas.js

@@ -0,0 +1,41 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { useCallback } from 'react';
+import { IrChart } from "./IrChart.js";
+import { IrStatusBar } from "./IrStatusBar.js";
+import { useIrActions, useIrEditorState } from "./irStateContext.js";
+/**
+ * The chart, and the status bar under it.
+ *
+ * This is where the state meets the drawing: the chart holds nothing, so
+ * everything it draws is read out of the state here and every gesture it reports
+ * is written back. The window in particular goes **both** ways — the chart is
+ * told what to show and reports what it arrives at — which is what lets a toolbar
+ * button and a drag both move it.
+ *
+ * The status bar is inside the canvas rather than under the whole shell, so it
+ * stops at the splitter: what is open on the right belongs to the chart, and a
+ * bar running under the panels as well would read as belonging to the page.
+ * @param props - Component props.
+ * @returns The canvas.
+ */
+export function IrCanvas(props) {
+    const { highlight = null, onHighlight, attachChart } = props;
+    const { state, visibleSpectra, assigned } = useIrEditorState();
+    const actions = useIrActions();
+    const { domain, tool, selectedId } = state.view;
+    const { mode, showAssignments, labelLimit } = state.settings;
+    const onDomainChange = useCallback((next) => {
+        actions.setDomain(next);
+    }, [actions]);
+    return (_jsxs("div", { style: rootStyle, children: [_jsx("div", { ref: attachChart, 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, {})] }));
+}
+const rootStyle = {
+    display: 'flex',
+    flexDirection: 'column',
+    flex: '1 1 1px',
+    minWidth: 0,
+    minHeight: 0,
+};
+/** The chart takes what the status bar does not. */
+const chartStyle = { flex: '1 1 1px', minHeight: 0 };
+//# sourceMappingURL=IrCanvas.js.map

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

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

@@ -0,0 +1,28 @@
+import type { ReactElement } from 'react';
+import type { IrChartProps } from './irChartProps.ts';
+/**
+ * The chart: every layer of an infrared spectrum, in one SVG.
+ *
+ * **The wavenumber axis runs right to left**, 4000 at the left edge down to 400
+ * at the right, which is how every infrared spectrum has been printed since the
+ * technique was dispersive and the instrument scanned that way. It is done by
+ * 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.
+ *
+ * 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
+ * wavenumbers pinned to the bands are allowed out over the margin — clip those
+ * and the strongest band in the window loses its label. The drag rectangle and
+ * the crosshair go over everything, because each answers a question being asked
+ * right now.
+ *
+ * Nothing is held here. The spectra, the bands, what is being looked at and the
+ * window are all props, and every gesture comes back out as a callback — so one
+ * component draws an editor's chart, a report page's single spectrum and a test.
+ * @param props - Component props.
+ * @returns The chart.
+ */
+export declare function IrChart(props: IrChartProps): ReactElement;
+//# sourceMappingURL=IrChart.d.ts.map

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

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