react-cheminfo 0.28.0 → 0.29.0

package/lib/download/ui/ExportPictureSection.js

@@ -0,0 +1,48 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { Button, HTMLSelect } from '@blueprintjs/core';
+import { useState } from 'react';
+import { exportButtonsStyle, exportNoteStyle, exportSectionStyle, } from "../core/exportStyles.js";
+import { IMAGE_RESOLUTIONS, formatImageSize, imageResolution, } from "../core/imageResolution.js";
+import { copyPicture, pictureSize, savePngPicture, saveSvgPicture, } from "../core/pictureExport.js";
+import { sanitizeFileName } from "../core/sanitizeFileName.js";
+import { ExportNameField } from "./ExportNameField.js";
+/**
+ * The drawing as a picture: how big it comes out, and where it goes.
+ *
+ * The size the file will be is shown beside the resolution rather than after
+ * the fact, since that is the number the choice is made on — a figure for a
+ * paper and a thumbnail for a slide are the same drawing at very different
+ * sizes. What is measured is what the picture will be of and not whatever is on
+ * screen, so the answer does not change when the window is resized or the
+ * drawing panned.
+ * @param props - Component props.
+ * @returns The section.
+ */
+export function ExportPictureSection(props) {
+    const { getDrawing, resolutionId, onResolutionChange, filename, label, frame, onStatus, } = props;
+    const [name, setName] = useState(filename);
+    const savedName = sanitizeFileName(name, filename);
+    const { scale } = imageResolution(resolutionId);
+    const size = pictureSize(getDrawing(), scale, { frame });
+    const options = { scale, filename: savedName, label, frame };
+    return (_jsxs("section", { style: exportSectionStyle, children: [_jsxs("div", { style: resolutionStyle, children: [_jsx(HTMLSelect, { value: resolutionId, "aria-label": "Resolution", onChange: (event) => onResolutionChange(event.currentTarget.value), children: IMAGE_RESOLUTIONS.map((resolution) => (_jsx("option", { value: resolution.id, children: resolution.label }, resolution.id))) }), _jsx("span", { style: exportNoteStyle, children: formatImageSize(size) })] }), _jsxs("div", { style: exportButtonsStyle, children: [_jsx(Button, { icon: "duplicate", disabled: size === null, text: "Copy PNG", onClick: () => {
+                            // The rasterization is started here rather than awaited: Safari
+                            // only allows a clipboard write the click itself started.
+                            void copyPicture(getDrawing(), options).then((copied) => onStatus(copied ? 'Picture copied.' : 'Nothing was copied.'), () => onStatus('Nothing was copied.'));
+                        } }), _jsx(ExportNameField, { name: name, onChange: setName }), _jsx(Button, { icon: "download", disabled: size === null, text: "Save PNG", title: `Save as ${savedName}.png`, onClick: () => {
+                            void savePngPicture(getDrawing(), options).then((saved) => {
+                                if (saved)
+                                    onStatus(`Saved as ${savedName}.png.`);
+                            });
+                        } }), _jsx(Button, { icon: "download", disabled: size === null, text: "Save SVG", title: `Save as ${savedName}.svg`, onClick: () => {
+                            if (saveSvgPicture(getDrawing(), options)) {
+                                onStatus(`Saved as ${savedName}.svg.`);
+                            }
+                        } })] })] }));
+}
+const resolutionStyle = {
+    display: 'flex',
+    alignItems: 'center',
+    gap: 8,
+};
+//# sourceMappingURL=ExportPictureSection.js.map

package/lib/download/ui/ExportPictureSection.js.map

@@ -0,0 +1 @@
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package/lib/download/ui/index.d.ts

@@ -10,4 +10,14 @@ export type { FigureDownloadProps } from './FigureDownload.tsx';
 export { FigureDownload } from './FigureDownload.tsx';
 export type { FigureDownloadPanelProps } from './FigureDownloadPanel.tsx';
 export { FigureDownloadPanel } from './FigureDownloadPanel.tsx';
+export type { ExportDialogFrameProps } from './ExportDialogFrame.tsx';
+export { ExportDialogFrame } from './ExportDialogFrame.tsx';
+export type { ExportImageDialogProps } from './ExportImageDialog.tsx';
+export { ExportImageDialog } from './ExportImageDialog.tsx';
+export type { ExportNameFieldProps } from './ExportNameField.tsx';
+export { ExportNameField } from './ExportNameField.tsx';
+export type { ExportPictureSectionProps } from './ExportPictureSection.tsx';
+export { ExportPictureSection } from './ExportPictureSection.tsx';
+export type { DrawingBox } from './useDrawingBox.ts';
+export { useDrawingBox } from './useDrawingBox.ts';
 //# sourceMappingURL=index.d.ts.map

package/lib/download/ui/index.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/download/ui/index.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,YAAY,EAAE,mBAAmB,EAAE,MAAM,sBAAsB,CAAC;AAChE,OAAO,EAAE,cAAc,EAAE,MAAM,sBAAsB,CAAC;AACtD,YAAY,EAAE,wBAAwB,EAAE,MAAM,2BAA2B,CAAC;AAC1E,OAAO,EAAE,mBAAmB,EAAE,MAAM,2BAA2B,CAAC;AAEhE,YAAY,EAAE,sBAAsB,EAAE,MAAM,yBAAyB,CAAC;AACtE,OAAO,EAAE,iBAAiB,EAAE,MAAM,yBAAyB,CAAC;AAC5D,YAAY,EAAE,sBAAsB,EAAE,MAAM,yBAAyB,CAAC;AACtE,OAAO,EAAE,iBAAiB,EAAE,MAAM,yBAAyB,CAAC;AAC5D,YAAY,EAAE,oBAAoB,EAAE,MAAM,uBAAuB,CAAC;AAClE,OAAO,EAAE,eAAe,EAAE,MAAM,uBAAuB,CAAC;AACxD,YAAY,EAAE,yBAAyB,EAAE,MAAM,4BAA4B,CAAC;AAC5E,OAAO,EAAE,oBAAoB,EAAE,MAAM,4BAA4B,CAAC;AAClE,YAAY,EAAE,UAAU,EAAE,MAAM,oBAAoB,CAAC;AACrD,OAAO,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC"}

package/lib/download/ui/index.js

@@ -8,4 +8,9 @@
  */
 export { FigureDownload } from "./FigureDownload.js";
 export { FigureDownloadPanel } from "./FigureDownloadPanel.js";
+export { ExportDialogFrame } from "./ExportDialogFrame.js";
+export { ExportImageDialog } from "./ExportImageDialog.js";
+export { ExportNameField } from "./ExportNameField.js";
+export { ExportPictureSection } from "./ExportPictureSection.js";
+export { useDrawingBox } from "./useDrawingBox.js";
 //# sourceMappingURL=index.js.map

package/lib/download/ui/index.js.map

@@ -1 +1 @@
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+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/download/ui/index.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAGH,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAsB,CAAC;AAEtD,OAAO,EAAE,mBAAmB,EAAE,MAAM,0BAA2B,CAAC;AAGhE,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAyB,CAAC;AAE5D,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAyB,CAAC;AAE5D,OAAO,EAAE,eAAe,EAAE,MAAM,sBAAuB,CAAC;AAExD,OAAO,EAAE,oBAAoB,EAAE,MAAM,2BAA4B,CAAC;AAElE,OAAO,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC"}

package/lib/download/ui/useDrawingBox.d.ts

@@ -0,0 +1,23 @@
+/** The box a picture is taken out of. */
+export interface DrawingBox {
+    /** Put on the box the drawing sits in, so it can be found again. */
+    attach: (element: HTMLElement | null) => void;
+    /**
+     * The drawing a picture is taken of, `null` when the box holds none — which
+     * is what an editor showing nothing yet, or one whose box has not been
+     * mounted, hands the export dialog.
+     */
+    getDrawing: () => SVGSVGElement | null;
+}
+/**
+ * Find the drawing a picture is to be taken of, when it is asked for.
+ *
+ * A drawing is laid out again on every resize, so the element itself is never
+ * held onto: what is kept is the box it sits in, and the drawing is read out of
+ * it at the moment a button is pressed. What counts as the drawing in there —
+ * the one element for an editor showing one, the panes composed for an editor
+ * showing a stack of charts — is `drawingIn`.
+ * @returns The box to attach, and the drawing inside it.
+ */
+export declare function useDrawingBox(): DrawingBox;
+//# sourceMappingURL=useDrawingBox.d.ts.map

package/lib/download/ui/useDrawingBox.d.ts.map

@@ -0,0 +1 @@
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package/lib/download/ui/useDrawingBox.js

@@ -0,0 +1,21 @@
+import { useCallback, useRef } from 'react';
+import { drawingIn } from "../core/stackedDrawing.js";
+/**
+ * Find the drawing a picture is to be taken of, when it is asked for.
+ *
+ * A drawing is laid out again on every resize, so the element itself is never
+ * held onto: what is kept is the box it sits in, and the drawing is read out of
+ * it at the moment a button is pressed. What counts as the drawing in there —
+ * the one element for an editor showing one, the panes composed for an editor
+ * showing a stack of charts — is `drawingIn`.
+ * @returns The box to attach, and the drawing inside it.
+ */
+export function useDrawingBox() {
+    const box = useRef(null);
+    const attach = useCallback((element) => {
+        box.current = element;
+    }, []);
+    const getDrawing = useCallback(() => drawingIn(box.current), []);
+    return { attach, getDrawing };
+}
+//# sourceMappingURL=useDrawingBox.js.map

package/lib/download/ui/useDrawingBox.js.map

@@ -0,0 +1 @@
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package/lib/error/core/describeSource.d.ts

@@ -0,0 +1,17 @@
+/**
+ * Name the source of a failed read.
+ *
+ * A reader is met by a user exactly once — when it fails — so what it says
+ * then is the whole of its interface, and saying it in one voice across a site
+ * matters more than in most code.
+ *
+ * A message that opens with the file's own name tells whoever dropped eleven
+ * files which of them is the problem; one that opens with `The pasted text`
+ * tells them the message is about the box they just typed into.
+ * @param fileName - The file's name, absent for a paste.
+ * @returns A subject a sentence can start with.
+ * @example
+ * `${describeSource(fileName)} holds no readable peak list.`
+ */
+export declare function describeSource(fileName?: string): string;
+//# sourceMappingURL=describeSource.d.ts.map

package/lib/error/core/describeSource.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"describeSource.d.ts","sourceRoot":"","sources":["../../../src/error/core/describeSource.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,cAAc,CAAC,QAAQ,CAAC,EAAE,MAAM,GAAG,MAAM,CAExD"}

package/lib/error/core/describeSource.js

@@ -0,0 +1,19 @@
+/**
+ * Name the source of a failed read.
+ *
+ * A reader is met by a user exactly once — when it fails — so what it says
+ * then is the whole of its interface, and saying it in one voice across a site
+ * matters more than in most code.
+ *
+ * A message that opens with the file's own name tells whoever dropped eleven
+ * files which of them is the problem; one that opens with `The pasted text`
+ * tells them the message is about the box they just typed into.
+ * @param fileName - The file's name, absent for a paste.
+ * @returns A subject a sentence can start with.
+ * @example
+ * `${describeSource(fileName)} holds no readable peak list.`
+ */
+export function describeSource(fileName) {
+    return fileName === undefined ? 'The pasted text' : fileName;
+}
+//# sourceMappingURL=describeSource.js.map

package/lib/error/core/describeSource.js.map

@@ -0,0 +1 @@
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package/lib/error/core/index.d.ts

@@ -1,2 +1,3 @@
+export { describeSource } from './describeSource.ts';
 export { errorMessage, toError } from './toError.ts';
 //# sourceMappingURL=index.d.ts.map

package/lib/error/core/index.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/error/core/index.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,YAAY,EAAE,OAAO,EAAE,MAAM,cAAc,CAAC"}

package/lib/error/core/index.js

@@ -1,2 +1,3 @@
+export { describeSource } from "./describeSource.js";
 export { errorMessage, toError } from "./toError.js";
 //# sourceMappingURL=index.js.map

package/lib/error/core/index.js.map

@@ -1 +1 @@
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+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/error/core/index.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,YAAY,EAAE,OAAO,EAAE,MAAM,cAAc,CAAC"}

package/lib/help/ui/HelpBody.d.ts

@@ -15,6 +15,14 @@ export interface HelpExample {
      */
     note?: string;
 }
+/**
+ * Help written as prose: one paragraph, or several.
+ *
+ * Several because an explanation worth reading is rarely one thought, and a
+ * dozen sentences run together into one block is a wall nobody reads to the
+ * end — which is the same as not having written it.
+ */
+export type HelpText = string | readonly string[];
 /** Everything a piece of help says, wherever it is shown. */
 export interface HelpContent {
     /**
@@ -23,7 +31,8 @@ export interface HelpContent {
      */
     title?: string;
     /**
-     * The explanation: one or two sentences, or any content of the site's own.
+     * The explanation: one or two sentences, any content of the site's own, or
+     * an array of strings, which is set as one paragraph each.
      * @default undefined
      */
     body?: ReactNode;

package/lib/help/ui/HelpBody.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"HelpBody.d.ts","sourceRoot":"","sources":["../../../src/help/ui/HelpBody.tsx"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAiB,YAAY,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAKpE,+EAA+E;AAC/E,MAAM,WAAW,WAAW;IAC1B,gDAAgD;IAChD,IAAI,EAAE,MAAM,CAAC;IACb;;;;OAIG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;OAGG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED;;;;;;GAMG;AACH,MAAM,MAAM,QAAQ,GAAG,MAAM,GAAG,SAAS,MAAM,EAAE,CAAC;AAElD,6DAA6D;AAC7D,MAAM,WAAW,WAAW;IAC1B;;;OAGG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;;OAIG;IACH,IAAI,CAAC,EAAE,SAAS,CAAC;IACjB;;;;OAIG;IACH,OAAO,CAAC,EAAE,WAAW,GAAG,SAAS,WAAW,EAAE,CAAC;IAC/C;;;OAGG;IACH,IAAI,CAAC,EAAE,MAAM,CAAC;CACf;AAED,mCAAmC;AACnC,MAAM,WAAW,aAAa;IAC5B,0BAA0B;IAC1B,OAAO,EAAE,WAAW,CAAC;IACrB;;;;OAIG;IACH,KAAK,CAAC,EAAE,MAAM,CAAC;IACf;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;CACpB;AAED;;;;;;;;GAQG;AACH,wBAAgB,QAAQ,CAAC,KAAK,EAAE,aAAa,GAAG,YAAY,CAuC3D"}

package/lib/help/ui/HelpBody.js

@@ -14,7 +14,28 @@ export function HelpBody(props) {
     const { className, content, width = DEFAULT_WIDTH } = props;
     const t = useChromeT();
     const { title, body, example, link } = content;
-    return (_jsxs("div", { className: joinClassNames('help-body', className), style: { ...BODY_STYLE, maxWidth: width }, children: [title === undefined ? null : _jsx("div", { style: TITLE_STYLE, children: title }), body === undefined ? null : _jsx("div", { style: TEXT_STYLE, children: body }), examplesOf(example).map((item) => (_jsxs("div", { style: EXAMPLE_STYLE, children: [_jsx("code", { style: CODE_STYLE, children: item.code }), item.input === undefined ? null : (_jsxs("div", { style: INPUT_STYLE, children: [t('help.on'), " ", _jsx("code", { style: CODE_STYLE, children: item.input })] })), item.note === undefined ? null : (_jsx("div", { style: NOTE_STYLE, children: item.note }))] }, exampleKey(item)))), link === undefined ? null : (_jsx("a", { href: link, target: "_blank", rel: "noopener noreferrer", style: LINK_STYLE, children: t('help.learnMore') }))] }));
+    return (_jsxs("div", { className: joinClassNames('help-body', className), style: { ...BODY_STYLE, maxWidth: width }, children: [title === undefined ? null : _jsx("div", { style: TITLE_STYLE, children: title }), body === undefined ? null : (_jsx("div", { style: TEXT_STYLE, children: paragraphsOf(body) })), examplesOf(example).map((item) => (_jsxs("div", { style: EXAMPLE_STYLE, children: [_jsx("code", { style: CODE_STYLE, children: item.code }), item.input === undefined ? null : (_jsxs("div", { style: INPUT_STYLE, children: [t('help.on'), " ", _jsx("code", { style: CODE_STYLE, children: item.input })] })), item.note === undefined ? null : (_jsx("div", { style: NOTE_STYLE, children: item.note }))] }, exampleKey(item)))), link === undefined ? null : (_jsx("a", { href: link, target: "_blank", rel: "noopener noreferrer", style: LINK_STYLE, children: t('help.learnMore') }))] }));
+}
+/**
+ * The body, with an array of strings set as paragraphs rather than run
+ * together.
+ *
+ * React renders `['one', 'two']` as `onetwo`, which is never what a caller who
+ * wrote two sentences meant. Anything else is handed back untouched: a body
+ * built of elements is the site's own and is laid out by whoever wrote it.
+ * @param body - The body, as the caller wrote it.
+ * @returns What to render.
+ */
+function paragraphsOf(body) {
+    if (!Array.isArray(body))
+        return body;
+    const paragraphs = [];
+    for (const piece of body) {
+        if (typeof piece !== 'string')
+            return body;
+        paragraphs.push(piece);
+    }
+    return paragraphs.map((paragraph) => (_jsx("p", { style: PARAGRAPH_STYLE, children: paragraph }, paragraph)));
 }
 // Two examples are only the same when all three of their parts are, and a help
 // that repeats one example has nothing to gain from drawing it twice.
@@ -37,6 +58,8 @@ function examplesOf(example) {
     }
     return unique;
 }
+/** The gap between paragraphs is the column's, so the margin is nobody's. */
+const PARAGRAPH_STYLE = { margin: 0 };
 /** How wide a piece of help is drawn when the caller does not say. */
 const DEFAULT_WIDTH = 280;
 const BODY_STYLE = {

package/lib/help/ui/HelpBody.js.map

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package/lib/help/ui/index.d.ts

@@ -1,4 +1,4 @@
-export type { HelpBodyProps, HelpContent, HelpExample } from './HelpBody.tsx';
+export type { HelpBodyProps, HelpContent, HelpExample, HelpText, } from './HelpBody.tsx';
 export { HelpBody } from './HelpBody.tsx';
 export type { HelpIconProps } from './HelpIcon.tsx';
 export { HelpIcon } from './HelpIcon.tsx';

package/lib/help/ui/index.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/help/ui/index.ts"],"names":[],"mappings":"AAAA,YAAY,EACV,aAAa,EACb,WAAW,EACX,WAAW,EACX,QAAQ,GACT,MAAM,gBAAgB,CAAC;AACxB,OAAO,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAC1C,YAAY,EAAE,aAAa,EAAE,MAAM,gBAAgB,CAAC;AACpD,OAAO,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAC1C,YAAY,EAAE,sBAAsB,EAAE,MAAM,yBAAyB,CAAC;AACtE,OAAO,EAAE,iBAAiB,EAAE,MAAM,yBAAyB,CAAC;AAC5D,YAAY,EAAE,gBAAgB,EAAE,MAAM,mBAAmB,CAAC;AAC1D,OAAO,EAAE,WAAW,EAAE,MAAM,mBAAmB,CAAC"}

package/lib/help/ui/index.js.map

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

@@ -0,0 +1,46 @@
+/**
+ * The step every reader shares: an `ir-spectrum` `Analysis` becomes spectra.
+ *
+ * All three readers hand back the same `Analysis`, and `ir-spectrum` has already
+ * done the part that needs to know what the file's y axis meant — it puts an `a`
+ * and a `t` variable on every spectrum whichever of the two was written. So what
+ * is left here is bookkeeping: order the points, type the arrays, read the
+ * records, and say which axis the file itself carried.
+ */
+import type { Analysis } from 'ir-spectrum';
+import type { IrMeta, IrOrigin } from './irSpectrum.ts';
+/** One spectrum as a reader produced it, before it is named and coloured. */
+export interface LoadedIrSpectrum {
+    /** The wavenumbers, ascending. */
+    wavenumber: Float64Array;
+    /** Absorbance at each. */
+    absorbance: Float64Array;
+    /** Percent transmittance at each. */
+    transmittance: Float64Array;
+    /** What the file said about the acquisition, `null` when it said nothing. */
+    meta: IrMeta | null;
+    /** Where it came from. */
+    origin: IrOrigin;
+    /**
+     * What the file called it, absent when it carried no title.
+     * @default undefined
+     */
+    name?: string;
+}
+/**
+ * Turn every spectrum an analysis holds into one loaded spectrum.
+ *
+ * All of them, never the first: a JCAMP is a container, and an instrument
+ * exporting a background beside a sample writes both as blocks of one file.
+ * Taking only the first would quietly drop what the chemist exported the file
+ * for, and would do it without an error.
+ *
+ * A block carrying fewer than two points is skipped rather than kept as a
+ * degenerate trace — a JCAMP link block, or a header block an instrument wrote
+ * with no data under it, is not a spectrum.
+ * @param analysis - What the reader built.
+ * @param origin - Where it came from: the format and the file.
+ * @returns One entry per readable block, in the order the file wrote them.
+ */
+export declare function analysisSpectra(analysis: Analysis, origin: IrOrigin): LoadedIrSpectrum[];
+//# sourceMappingURL=analysisSpectra.d.ts.map

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

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

@@ -0,0 +1,187 @@
+/**
+ * The step every reader shares: an `ir-spectrum` `Analysis` becomes spectra.
+ *
+ * All three readers hand back the same `Analysis`, and `ir-spectrum` has already
+ * done the part that needs to know what the file's y axis meant — it puts an `a`
+ * and a `t` variable on every spectrum whichever of the two was written. So what
+ * is left here is bookkeeping: order the points, type the arrays, read the
+ * records, and say which axis the file itself carried.
+ */
+import { xySortX } from 'ml-spectra-processing';
+/**
+ * Turn every spectrum an analysis holds into one loaded spectrum.
+ *
+ * All of them, never the first: a JCAMP is a container, and an instrument
+ * exporting a background beside a sample writes both as blocks of one file.
+ * Taking only the first would quietly drop what the chemist exported the file
+ * for, and would do it without an error.
+ *
+ * A block carrying fewer than two points is skipped rather than kept as a
+ * degenerate trace — a JCAMP link block, or a header block an instrument wrote
+ * with no data under it, is not a spectrum.
+ * @param analysis - What the reader built.
+ * @param origin - Where it came from: the format and the file.
+ * @returns One entry per readable block, in the order the file wrote them.
+ */
+export function analysisSpectra(analysis, origin) {
+    const blocks = analysis.spectra;
+    const spectra = [];
+    for (let index = 0; index < blocks.length; index++) {
+        const block = blocks[index];
+        if (block === undefined)
+            continue;
+        if (!isInfrared(block))
+            continue;
+        const wavenumbers = block.variables.x?.data;
+        const absorbances = block.variables.a?.data;
+        const transmittances = block.variables.t?.data;
+        if (wavenumbers === undefined ||
+            absorbances === undefined ||
+            transmittances === undefined ||
+            wavenumbers.length < 2) {
+            continue;
+        }
+        const blockOrigin = { ...origin };
+        // A file holding one spectrum has no index worth showing; calling it block 0
+        // in the list would suggest there is a block 1 somewhere.
+        if (blocks.length > 1)
+            blockOrigin.blockIndex = index;
+        const recorded = recordedMode(block);
+        if (recorded !== undefined)
+            blockOrigin.recorded = recorded;
+        const spectrum = {
+            // Sorted once, on the axis both value arrays are indexed by, and the same
+            // permutation applied to each — sorting them independently would pair an
+            // absorbance with another wavenumber's transmittance.
+            ...sortedByWavenumber(wavenumbers, absorbances, transmittances),
+            meta: blockMeta(block),
+            origin: blockOrigin,
+        };
+        const title = blockTitle(block);
+        // An absent name is an absent key, never a key holding `undefined`: the two
+        // read the same in a debugger and differently in every structural comparison.
+        if (title)
+            spectrum.name = title;
+        spectra.push(spectrum);
+    }
+    return spectra;
+}
+/**
+ * Put the points in ascending wavenumber, carrying both value axes along.
+ *
+ * `xySortX` is asked twice with the same x, which sorts it twice — but it is the
+ * one sort in the ecosystem that both orders and types an `xy` pair, and an
+ * infrared spectrum is a few thousand points. Writing a bespoke permutation to
+ * save one pass over four thousand numbers would be a second sort to keep
+ * correct for no measurable gain.
+ * @param wavenumbers - The wavenumbers, in whatever order the file wrote them.
+ * @param absorbances - Absorbance at each.
+ * @param transmittances - Percent transmittance at each.
+ * @returns The three arrays, ascending and typed.
+ */
+function sortedByWavenumber(wavenumbers, absorbances, transmittances) {
+    const byAbsorbance = xySortX({ x: wavenumbers, y: absorbances });
+    const byTransmittance = xySortX({ x: wavenumbers, y: transmittances });
+    return {
+        wavenumber: Float64Array.from(byAbsorbance.x),
+        absorbance: Float64Array.from(byAbsorbance.y),
+        transmittance: Float64Array.from(byTransmittance.y),
+    };
+}
+/**
+ * What the block calls itself, with the file's own commentary taken off.
+ *
+ * `$$` opens a comment that runs to the end of the line in JCAMP, and a real
+ * `##TITLE` often carries one: the JSpecView collection is full of
+ * `urea $$ Begin of the data block`. Left in, the comment becomes the name of
+ * the spectrum in the list and the heading of its metadata panel.
+ * @param block - One spectrum of the analysis.
+ * @returns The title, or `undefined` when the block carries none worth showing.
+ */
+function blockTitle(block) {
+    const written = block.title?.split('$$', 1)[0]?.trim();
+    return written === undefined || written === '' ? undefined : written;
+}
+/**
+ * Whether a block is an infrared spectrum rather than something else entirely.
+ *
+ * A JCAMP `LINK` block is a container, and the real ones in the wild put a Raman
+ * spectrum of the same sample in beside the infrared — `DCE.jdx` from the
+ * JSpecView collection holds two of each. A Raman shift is not a wavenumber
+ * absorbed, so loading one as infrared would draw a spectrum whose axis means
+ * something else and offer functional groups for its bands.
+ *
+ * Read off the block's own data type, and a block that states none is **kept**:
+ * plenty of instruments write no `##DATA TYPE` at all, and the file was opened
+ * by an infrared reader, so infrared is the right assumption where the file is
+ * silent. What is dropped is only a block that says it is something else.
+ * @param block - One spectrum of the analysis.
+ * @returns Whether to read it as infrared.
+ */
+function isInfrared(block) {
+    const dataType = block.dataType?.toUpperCase();
+    if (dataType === undefined || dataType === '')
+        return true;
+    if (dataType.includes('LINK'))
+        return true;
+    for (const other of NOT_INFRARED) {
+        if (dataType.includes(other))
+            return false;
+    }
+    return true;
+}
+/**
+ * The data types that are certainly not an infrared spectrum.
+ *
+ * Named rather than matching `INFRARED` positively, so a file typed
+ * `IR SPECTRUM`, `FTIR` or `INFRARED SPECTRUM` — all three occur — is read
+ * without the list having to anticipate every spelling.
+ */
+const NOT_INFRARED = [
+    'RAMAN',
+    'NMR',
+    'MASS',
+    'UV',
+    'VISIBLE',
+    'CHROMATOGRAM',
+    'XRD',
+    'FLUORESCENCE',
+];
+/**
+ * Which value axis the file itself carried.
+ *
+ * Read off the original `y` variable's label rather than off `a` or `t`, which
+ * `ir-spectrum` adds to every spectrum and so say nothing about the source. A
+ * file whose label names neither is left unanswered rather than guessed at.
+ * @param block - One spectrum of the analysis.
+ * @returns The mode the file was written in, or `undefined` when it is unclear.
+ */
+function recordedMode(block) {
+    const label = `${block.variables.y?.label ?? ''} ${block.variables.y?.units ?? ''}`.toLowerCase();
+    if (label.includes('transmit'))
+        return 'transmittance';
+    if (label.includes('absorb'))
+        return 'absorbance';
+    return undefined;
+}
+/**
+ * The acquisition table, as the file's own records state it.
+ * @param block - One spectrum of the analysis.
+ * @returns The table, `null` when the file carried neither a title nor a record.
+ */
+function blockMeta(block) {
+    const title = blockTitle(block);
+    const fields = [];
+    for (const [label, value] of Object.entries(block.meta ?? {})) {
+        const written = typeof value === 'string' ? value.trim() : String(value);
+        if (written !== '')
+            fields.push({ label, value: written });
+    }
+    if (block.dataType) {
+        fields.unshift({ label: 'Technique', value: block.dataType });
+    }
+    if (fields.length === 0 && !title)
+        return null;
+    return { title: title ?? null, fields };
+}
+//# sourceMappingURL=analysisSpectra.js.map

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