react-cheminfo 0.74.0 → 0.76.0

package/lib/download/core/copySvg.d.ts

@@ -0,0 +1,12 @@
+/**
+ * Put an SVG document on the clipboard, without ever throwing at the caller.
+ *
+ * Where the browser takes an SVG picture, the document goes on as one and as
+ * its text, in one item: a slide or a vector editor pastes the drawing, a text
+ * editor the markup. Elsewhere — Firefox and Safari take no SVG picture — the
+ * text alone, which a vector editor still pastes as a drawing.
+ * @param markup - The SVG document.
+ * @returns Whether the clipboard now holds it, at least as text.
+ */
+export declare function copySvg(markup: string): Promise<boolean>;
+//# sourceMappingURL=copySvg.d.ts.map

package/lib/download/core/copySvg.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"copySvg.d.ts","sourceRoot":"","sources":["../../../src/download/core/copySvg.ts"],"names":[],"mappings":"AAMA;;;;;;;;;GASG;AACH,wBAAsB,OAAO,CAAC,MAAM,EAAE,MAAM,GAAG,OAAO,CAAC,OAAO,CAAC,CAS9D"}

package/lib/download/core/copySvg.js

@@ -0,0 +1,38 @@
+import { writeClipboardItem } from "../../clipboard/core/clipboardItem.js";
+import { writeToClipboard } from "../../clipboard/core/writeToClipboard.js";
+/** The type a picture is put on the clipboard as: no `charset`, which it refuses. */
+const SVG_CLIPBOARD_TYPE = 'image/svg+xml';
+/**
+ * Put an SVG document on the clipboard, without ever throwing at the caller.
+ *
+ * Where the browser takes an SVG picture, the document goes on as one and as
+ * its text, in one item: a slide or a vector editor pastes the drawing, a text
+ * editor the markup. Elsewhere — Firefox and Safari take no SVG picture — the
+ * text alone, which a vector editor still pastes as a drawing.
+ * @param markup - The SVG document.
+ * @returns Whether the clipboard now holds it, at least as text.
+ */
+export async function copySvg(markup) {
+    if (takesSvgPicture()) {
+        const written = await writeClipboardItem({
+            [SVG_CLIPBOARD_TYPE]: new Blob([markup], { type: SVG_CLIPBOARD_TYPE }),
+            'text/plain': new Blob([markup], { type: 'text/plain' }),
+        });
+        if (written)
+            return true;
+    }
+    return writeToClipboard(markup);
+}
+/**
+ * Whether the clipboard says it takes an SVG picture. Asked before writing:
+ * a write it refuses would spend the click, and the text after it would be
+ * refused too in Safari.
+ * @returns Whether `ClipboardItem.supports` names the SVG type.
+ */
+function takesSvgPicture() {
+    if (typeof ClipboardItem === 'undefined')
+        return false;
+    const item = ClipboardItem;
+    return (typeof item.supports === 'function' && item.supports(SVG_CLIPBOARD_TYPE));
+}
+//# sourceMappingURL=copySvg.js.map

package/lib/download/core/copySvg.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"copySvg.js","sourceRoot":"","sources":["../../../src/download/core/copySvg.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,kBAAkB,EAAE,MAAM,uCAAuC,CAAC;AAC3E,OAAO,EAAE,gBAAgB,EAAE,MAAM,0CAA0C,CAAC;AAE5E,qFAAqF;AACrF,MAAM,kBAAkB,GAAG,eAAe,CAAC;AAE3C;;;;;;;;;GASG;AACH,MAAM,CAAC,KAAK,UAAU,OAAO,CAAC,MAAc;IAC1C,IAAI,eAAe,EAAE,EAAE,CAAC;QACtB,MAAM,OAAO,GAAG,MAAM,kBAAkB,CAAC;YACvC,CAAC,kBAAkB,CAAC,EAAE,IAAI,IAAI,CAAC,CAAC,MAAM,CAAC,EAAE,EAAE,IAAI,EAAE,kBAAkB,EAAE,CAAC;YACtE,YAAY,EAAE,IAAI,IAAI,CAAC,CAAC,MAAM,CAAC,EAAE,EAAE,IAAI,EAAE,YAAY,EAAE,CAAC;SACzD,CAAC,CAAC;QACH,IAAI,OAAO;YAAE,OAAO,IAAI,CAAC;IAC3B,CAAC;IACD,OAAO,gBAAgB,CAAC,MAAM,CAAC,CAAC;AAClC,CAAC;AAED;;;;;GAKG;AACH,SAAS,eAAe;IACtB,IAAI,OAAO,aAAa,KAAK,WAAW;QAAE,OAAO,KAAK,CAAC;IACvD,MAAM,IAAI,GAAG,aAAyD,CAAC;IACvE,OAAO,CACL,OAAO,IAAI,CAAC,QAAQ,KAAK,UAAU,IAAI,IAAI,CAAC,QAAQ,CAAC,kBAAkB,CAAC,CACzE,CAAC;AACJ,CAAC"}

package/lib/download/core/index.d.ts

@@ -1,5 +1,6 @@
 export type { FigureNotice } from './copyFigure.ts';
 export { copyFigure } from './copyFigure.ts';
+export { copySvg } from './copySvg.ts';
 export { cssTokenNames, resolveCssTokens } from './cssTokens.ts';
 export { downloadBlob } from './downloadBlob.ts';
 export type { DownloadFigureOptions, FigureFormat } from './downloadFigure.ts';

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

@@ -1 +1 @@
-{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/download/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,YAAY,EAAE,MAAM,iBAAiB,CAAC;AACpD,OAAO,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAC7C,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACjE,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACjD,YAAY,EAAE,qBAAqB,EAAE,YAAY,EAAE,MAAM,qBAAqB,CAAC;AAC/E,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACjD,YAAY,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACtD,OAAO,EACL,mBAAmB,EACnB,cAAc,EACd,iBAAiB,EACjB,iBAAiB,EACjB,mBAAmB,EACnB,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC5D,YAAY,EAAE,mBAAmB,EAAE,MAAM,mBAAmB,CAAC;AAC7D,OAAO,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AACtD,YAAY,EAAE,YAAY,EAAE,MAAM,kBAAkB,CAAC;AACrD,OAAO,EACL,oBAAoB,EACpB,iBAAiB,EACjB,aAAa,EACb,kBAAkB,EAClB,YAAY,EACZ,eAAe,EACf,gBAAgB,EAChB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EAAE,SAAS,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AAClE,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC5D,YAAY,EACV,WAAW,EACX,wBAAwB,GACzB,MAAM,wBAAwB,CAAC;AAChC,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAwB,CAAC;AAC3D,YAAY,EACV,gBAAgB,EAChB,gBAAgB,EAChB,iBAAiB,EACjB,gBAAgB,GACjB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,kBAAkB,EAAE,MAAM,mBAAmB,CAAC;AACvD,YAAY,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACtD,OAAO,EACL,YAAY,EACZ,cAAc,EACd,aAAa,EACb,aAAa,EACb,eAAe,EACf,UAAU,GACX,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAEzD,OAAO,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAC/D,YAAY,EAAE,MAAM,EAAE,MAAM,gBAAgB,CAAC;AAC7C,OAAO,EAAE,iBAAiB,EAAE,UAAU,EAAE,UAAU,EAAE,MAAM,gBAAgB,CAAC;AAC3E,OAAO,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AAClD,YAAY,EAAE,UAAU,EAAE,MAAM,eAAe,CAAC;AAChD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AACzC,YAAY,EAAE,kBAAkB,EAAE,MAAM,kBAAkB,CAAC;AAC3D,OAAO,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC"}
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/download/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,YAAY,EAAE,MAAM,iBAAiB,CAAC;AACpD,OAAO,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAC7C,OAAO,EAAE,OAAO,EAAE,MAAM,cAAc,CAAC;AACvC,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACjE,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACjD,YAAY,EAAE,qBAAqB,EAAE,YAAY,EAAE,MAAM,qBAAqB,CAAC;AAC/E,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACjD,YAAY,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACtD,OAAO,EACL,mBAAmB,EACnB,cAAc,EACd,iBAAiB,EACjB,iBAAiB,EACjB,mBAAmB,EACnB,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC5D,YAAY,EAAE,mBAAmB,EAAE,MAAM,mBAAmB,CAAC;AAC7D,OAAO,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AACtD,YAAY,EAAE,YAAY,EAAE,MAAM,kBAAkB,CAAC;AACrD,OAAO,EACL,oBAAoB,EACpB,iBAAiB,EACjB,aAAa,EACb,kBAAkB,EAClB,YAAY,EACZ,eAAe,EACf,gBAAgB,EAChB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EAAE,SAAS,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AAClE,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAC5D,YAAY,EACV,WAAW,EACX,wBAAwB,GACzB,MAAM,wBAAwB,CAAC;AAChC,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAwB,CAAC;AAC3D,YAAY,EACV,gBAAgB,EAChB,gBAAgB,EAChB,iBAAiB,EACjB,gBAAgB,GACjB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,kBAAkB,EAAE,MAAM,mBAAmB,CAAC;AACvD,YAAY,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AACtD,OAAO,EACL,YAAY,EACZ,cAAc,EACd,aAAa,EACb,aAAa,EACb,eAAe,EACf,UAAU,GACX,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAEzD,OAAO,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAC/D,YAAY,EAAE,MAAM,EAAE,MAAM,gBAAgB,CAAC;AAC7C,OAAO,EAAE,iBAAiB,EAAE,UAAU,EAAE,UAAU,EAAE,MAAM,gBAAgB,CAAC;AAC3E,OAAO,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AAClD,YAAY,EAAE,UAAU,EAAE,MAAM,eAAe,CAAC;AAChD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AACzC,YAAY,EAAE,kBAAkB,EAAE,MAAM,kBAAkB,CAAC;AAC3D,OAAO,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC"}

package/lib/download/core/index.js

@@ -1,4 +1,5 @@
 export { copyFigure } from "./copyFigure.js";
+export { copySvg } from "./copySvg.js";
 export { cssTokenNames, resolveCssTokens } from "./cssTokens.js";
 export { downloadBlob } from "./downloadBlob.js";
 export { downloadFigure } from "./downloadFigure.js";

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

@@ -1 +1 @@
-{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/download/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAC7C,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACjE,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AAEjD,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AAEjD,OAAO,EACL,mBAAmB,EACnB,cAAc,EACd,iBAAiB,EACjB,iBAAiB,EACjB,mBAAmB,EACnB,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAE5D,OAAO,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AAEtD,OAAO,EACL,oBAAoB,EACpB,iBAAiB,EACjB,aAAa,EACb,kBAAkB,EAClB,YAAY,EACZ,eAAe,EACf,gBAAgB,EAChB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAE1B,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAK5D,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAwB,CAAC;AAO3D,OAAO,EAAE,kBAAkB,EAAE,MAAM,mBAAmB,CAAC;AAEvD,OAAO,EACL,YAAY,EACZ,cAAc,EACd,aAAa,EACb,aAAa,EACb,eAAe,EACf,UAAU,GACX,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAEzD,OAAO,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAE/D,OAAO,EAAE,iBAAiB,EAAE,UAAU,EAAE,UAAU,EAAE,MAAM,gBAAgB,CAAC;AAC3E,OAAO,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AAElD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AAEzC,OAAO,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC"}
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/download/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,UAAU,EAAE,MAAM,iBAAiB,CAAC;AAC7C,OAAO,EAAE,OAAO,EAAE,MAAM,cAAc,CAAC;AACvC,OAAO,EAAE,aAAa,EAAE,gBAAgB,EAAE,MAAM,gBAAgB,CAAC;AACjE,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AAEjD,OAAO,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACrD,OAAO,EAAE,YAAY,EAAE,MAAM,mBAAmB,CAAC;AAEjD,OAAO,EACL,mBAAmB,EACnB,cAAc,EACd,iBAAiB,EACjB,iBAAiB,EACjB,mBAAmB,EACnB,gBAAgB,EAChB,gBAAgB,GACjB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAE5D,OAAO,EAAE,iBAAiB,EAAE,MAAM,mBAAmB,CAAC;AAEtD,OAAO,EACL,oBAAoB,EACpB,iBAAiB,EACjB,aAAa,EACb,kBAAkB,EAClB,YAAY,EACZ,eAAe,EACf,gBAAgB,EAChB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAE1B,OAAO,EAAE,eAAe,EAAE,SAAS,EAAE,MAAM,gBAAgB,CAAC;AAK5D,OAAO,EAAE,iBAAiB,EAAE,MAAM,wBAAwB,CAAC;AAO3D,OAAO,EAAE,kBAAkB,EAAE,MAAM,mBAAmB,CAAC;AAEvD,OAAO,EACL,YAAY,EACZ,cAAc,EACd,aAAa,EACb,aAAa,EACb,eAAe,EACf,UAAU,GACX,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,gBAAgB,EAAE,MAAM,uBAAuB,CAAC;AAEzD,OAAO,EAAE,SAAS,EAAE,aAAa,EAAE,MAAM,qBAAqB,CAAC;AAE/D,OAAO,EAAE,iBAAiB,EAAE,UAAU,EAAE,UAAU,EAAE,MAAM,gBAAgB,CAAC;AAC3E,OAAO,EAAE,aAAa,EAAE,MAAM,mBAAmB,CAAC;AAElD,OAAO,EAAE,QAAQ,EAAE,MAAM,eAAe,CAAC;AAEzC,OAAO,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC"}

package/lib/ecosystem/core/sites.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"sites.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/core/sites.ts"],"names":[],"mappings":"AAGA,OAAO,KAAK,EAAE,aAAa,EAAE,UAAU,EAAE,MAAM,YAAY,CAAC;AAE5D,YAAY,EACV,aAAa,EACb,MAAM,EACN,cAAc,EACd,QAAQ,EACR,UAAU,GACX,MAAM,YAAY,CAAC;AAEpB;;;GAGG;AACH,eAAO,MAAM,eAAe,EAAE,SAAS,aAAa,EAqTnD,CAAC;AAEF,+DAA+D;AAC/D,MAAM,WAAW,cAAc;IAC7B;;;;OAIG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;CACnB;AAED;;;;;GAKG;AACH,wBAAgB,OAAO,CACrB,IAAI,EAAE,UAAU,EAChB,OAAO,GAAE,cAAmB,GAC3B,MAAM,CAER"}
+{"version":3,"file":"sites.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/core/sites.ts"],"names":[],"mappings":"AAGA,OAAO,KAAK,EAAE,aAAa,EAAE,UAAU,EAAE,MAAM,YAAY,CAAC;AAE5D,YAAY,EACV,aAAa,EACb,MAAM,EACN,cAAc,EACd,QAAQ,EACR,UAAU,GACX,MAAM,YAAY,CAAC;AAEpB;;;GAGG;AACH,eAAO,MAAM,eAAe,EAAE,SAAS,aAAa,EA+UnD,CAAC;AAEF,+DAA+D;AAC/D,MAAM,WAAW,cAAc;IAC7B;;;;OAIG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;CACnB;AAED;;;;;GAKG;AACH,wBAAgB,OAAO,CACrB,IAAI,EAAE,UAAU,EAChB,OAAO,GAAE,cAAmB,GAC3B,MAAM,CAER"}

package/lib/ecosystem/core/sites.js

@@ -189,6 +189,20 @@ export const ECOSYSTEM_SITES = [
         brandAlt: '#b45309',
         mark: { plate: '#7e22ce', accent: '#f59e0b' },
     },
+    {
+        id: 'spectroscopy',
+        name: { lead: 'spectroscopy', alt: 'cheminfo', dot: true },
+        host: 'spectroscopy.cheminfo.org',
+        tagline: 'Find a structure from its IR, mass and NMR spectra.',
+        group: 'spectra',
+        // The violet end of the spectrum: the greens a spectrum would suggest are
+        // already smiles', equilibrium's and openbabel's.
+        brand: '#744d9f',
+        // The lime the mark's ring is drawn in sits at 1.5:1 on white, so the
+        // second half of the wordmark takes this darkened form, at 5.0:1.
+        brandAlt: '#4d7c0f',
+        mark: { plate: '#744d9f', accent: '#a3e635' },
+    },
     {
         id: 'equilibrium',
         name: { lead: 'Equi', alt: 'Librium' },
@@ -312,6 +326,18 @@ export const ECOSYSTEM_SITES = [
         brandAlt: '#1d4ed8',
         mark: { plate: '#c8460d', accent: '#1d4ed8' },
     },
+    {
+        id: 'vibrations',
+        name: { lead: 'vibrations', alt: 'cheminfo', dot: true },
+        host: 'vibrations.cheminfo.org',
+        tagline: 'IR and Raman spectra computed in the browser.',
+        group: 'spectra',
+        brand: '#0072b2',
+        // The amber of the mark sits at 2.3:1 on white, so the wordmark sets its
+        // second half in the darker amber, at 4.9:1.
+        brandAlt: '#a16207',
+        mark: { plate: '#0072b2', accent: '#e69f00' },
+    },
 ];
 /**
  * The address of a site, which is its host over https.

package/lib/ecosystem/core/sites.js.map

@@ -1 +1 @@
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package/lib/ecosystem/core/types.d.ts

@@ -1,6 +1,6 @@
 import type { SiteGroupId } from './groups.ts';
 /** The sites of the family, whether the menu links to them yet or not. */
-export type SiteId = 'learn' | 'inchi' | 'vcl' | 'smiles' | 'iupac-name' | 'openbabel' | 'chemcalc' | 'dbe' | 'nmrium' | 'metabo' | 'derepflow' | 'isomers' | 'tex' | 'lcao' | 'regexp' | 'pdb' | 'elucidation' | 'equilibrium' | 'polycarp' | '3d' | 'periodic-table' | 'database' | 'molecules' | 'symmetry' | 'osiris' | 'atoms' | 'moles' | 'inorganic' | 'slides' | 'chembio' | 'wikidata' | 'mz';
+export type SiteId = 'learn' | 'inchi' | 'vcl' | 'smiles' | 'iupac-name' | 'openbabel' | 'chemcalc' | 'dbe' | 'nmrium' | 'metabo' | 'derepflow' | 'isomers' | 'tex' | 'lcao' | 'regexp' | 'pdb' | 'elucidation' | 'spectroscopy' | 'equilibrium' | 'polycarp' | '3d' | 'periodic-table' | 'database' | 'molecules' | 'symmetry' | 'osiris' | 'atoms' | 'moles' | 'inorganic' | 'slides' | 'chembio' | 'wikidata' | 'mz' | 'vibrations';
 /** A site's name, split the way its own wordmark splits it. */
 export interface SiteName {
     /**

package/lib/ecosystem/core/types.d.ts.map

@@ -1 +1 @@
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package/lib/ecosystem/ui/glyphs.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"glyphs.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/ui/glyphs.tsx"],"names":[],"mappings":"AAAA;;;;;;;;;;GAUG;AAEH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAEvC,OAAO,KAAK,EAAE,MAAM,EAAE,MAAM,kBAAkB,CAAC;AAE/C,4DAA4D;AAC5D,eAAO,MAAM,MAAM,EAAE,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,MAAM,KAAK,SAAS,CA2kB7D,CAAC"}

package/lib/ecosystem/ui/glyphs.js

@@ -49,6 +49,10 @@ export const GLYPHS = {
     pdb: (alt) => (_jsxs(_Fragment, { children: [_jsx("g", { stroke: "#ffffff", strokeWidth: "1.9", strokeLinecap: "round", fill: "none", opacity: "0.85", children: _jsx("path", { d: "M9.2 12.4 22 15.4 15.6 23Z" }) }), _jsx("circle", { cx: "9.2", cy: "12.4", r: "3.1", fill: "#ffffff" }), _jsx("circle", { cx: "22", cy: "15.4", r: "3.1", fill: "#ffffff" }), _jsx("circle", { cx: "15.6", cy: "23", r: "3.1", fill: alt })] })),
     // The site's own favicon: a spectrum, and the one signal being assigned.
     elucidation: (alt) => (_jsxs(_Fragment, { children: [_jsx("path", { d: "M5 24h4l2-11 2 11h4l2-15 2 15h3l1.5-7 1.5 7", fill: "none", stroke: "#ffffff", strokeWidth: "2", strokeLinecap: "round", strokeLinejoin: "round" }), _jsx("circle", { cx: "19", cy: "9", r: "3", fill: alt })] })),
+    // Three peaks on a baseline and the ring they are read back to: the spectra
+    // are what a student is given, the structure is the answer, so the ring
+    // carries the answering colour.
+    spectroscopy: (alt) => (_jsxs(_Fragment, { children: [_jsx("path", { d: "M4 25h7l1.5-8 1.5 8h3l1.5-5 1.5 5h2l1.75-14 1.75 14H28", fill: "none", stroke: "#ffffff", strokeWidth: "2", strokeLinecap: "round", strokeLinejoin: "round" }), _jsx("path", { d: "M10 4 14.76 6.75V12.25L10 15 5.24 12.25V6.75Z", fill: "none", stroke: alt, strokeWidth: "2.2", strokeLinejoin: "round" })] })),
     // The site's own favicon: the double harpoon, one direction per colour.
     equilibrium: (alt) => (_jsxs("g", { fill: "none", strokeWidth: "2.5", strokeLinecap: "round", strokeLinejoin: "round", children: [_jsx("path", { d: "M6.5 12.5h17l-4-4", stroke: "#ffffff" }), _jsx("path", { d: "M25.5 19.5h-17l4 4", stroke: alt })] })),
     // A chain of monomers, one of them the comonomer written into it.
@@ -99,5 +103,8 @@ export const GLYPHS = {
     // it. The second row carries the answering colour, the blue of a link. Both
     // rows and the gap between them fall on whole pixels at 16 px.
     wikidata: (alt) => (_jsxs(_Fragment, { children: [_jsx("path", { d: "M16 5.4 20.85 8.2 20.85 13.8 16 16.6 11.15 13.8 11.15 8.2Z", fill: "none", stroke: "#ffffff", strokeWidth: "2.2", strokeLinejoin: "round" }), _jsx("rect", { x: "6", y: "20", width: "20", height: "2", rx: "1", fill: "#ffffff" }), _jsx("rect", { x: "6", y: "24", width: "14", height: "4", rx: "2", fill: alt })] })),
+    // Two atoms on a bond, caught mid-stretch, over the baseline of a spectrum.
+    // The lighter atom carries the answering colour.
+    vibrations: (alt) => (_jsxs(_Fragment, { children: [_jsx("line", { x1: "10", y1: "11", x2: "23", y2: "11", stroke: "#ffffff", strokeWidth: "2.5" }), _jsx("circle", { cx: "10", cy: "11", r: "5", fill: "#ffffff" }), _jsx("circle", { cx: "23", cy: "11", r: "3.5", fill: alt }), _jsx("path", { d: "M4 26h4.5l2-5 2 5h4l2-8 2 8H28", fill: "none", stroke: "#ffffff", strokeWidth: "2", strokeLinecap: "round", strokeLinejoin: "round" })] })),
 };
 //# sourceMappingURL=glyphs.js.map

package/lib/ecosystem/ui/glyphs.js.map

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package/lib/formula/core/elementRanges.d.ts

@@ -0,0 +1,25 @@
+/** One element a formula search may use, and how many of its atoms. */
+export interface ElementRange {
+    /** The element symbol: `C`, `Cl`. */
+    readonly element: string;
+    /** Fewest atoms of it a formula carries. */
+    readonly min: number;
+    /** Most atoms of it a formula carries; `0` leaves the element out. */
+    readonly max: number;
+}
+/**
+ * The elements a formula lookup offers, with the range it opens on. Carbon and
+ * hydrogen are wide because every organic molecule holds both, and the
+ * heteroatoms open wide enough that a molecule carrying four of one of them is
+ * listed without the reader having to suspect it first.
+ */
+export declare const DEFAULT_ELEMENT_RANGES: readonly ElementRange[];
+/**
+ * The ranges as `mf-finder` reads them: `C1-30 H1-30 O0-6`. An element whose
+ * upper bound is zero is left out rather than written `F0-0`, and a bound below
+ * zero or past the other one is brought back inside it.
+ * @param ranges - The element ranges.
+ * @returns The range string, empty when no element is left.
+ */
+export declare function formatElementRanges(ranges: readonly ElementRange[]): string;
+//# sourceMappingURL=elementRanges.d.ts.map

package/lib/formula/core/elementRanges.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"elementRanges.d.ts","sourceRoot":"","sources":["../../../src/formula/core/elementRanges.ts"],"names":[],"mappings":"AAAA,uEAAuE;AACvE,MAAM,WAAW,YAAY;IAC3B,qCAAqC;IACrC,QAAQ,CAAC,OAAO,EAAE,MAAM,CAAC;IACzB,4CAA4C;IAC5C,QAAQ,CAAC,GAAG,EAAE,MAAM,CAAC;IACrB,sEAAsE;IACtE,QAAQ,CAAC,GAAG,EAAE,MAAM,CAAC;CACtB;AAED;;;;;GAKG;AACH,eAAO,MAAM,sBAAsB,EAAE,SAAS,YAAY,EASzD,CAAC;AAEF;;;;;;GAMG;AACH,wBAAgB,mBAAmB,CAAC,MAAM,EAAE,SAAS,YAAY,EAAE,GAAG,MAAM,CAS3E"}

package/lib/formula/core/elementRanges.js

@@ -0,0 +1,35 @@
+/**
+ * The elements a formula lookup offers, with the range it opens on. Carbon and
+ * hydrogen are wide because every organic molecule holds both, and the
+ * heteroatoms open wide enough that a molecule carrying four of one of them is
+ * listed without the reader having to suspect it first.
+ */
+export const DEFAULT_ELEMENT_RANGES = [
+    { element: 'C', min: 1, max: 30 },
+    { element: 'H', min: 1, max: 30 },
+    { element: 'O', min: 0, max: 6 },
+    { element: 'N', min: 0, max: 4 },
+    { element: 'S', min: 0, max: 4 },
+    { element: 'F', min: 0, max: 4 },
+    { element: 'Cl', min: 0, max: 4 },
+    { element: 'Br', min: 0, max: 4 },
+];
+/**
+ * The ranges as `mf-finder` reads them: `C1-30 H1-30 O0-6`. An element whose
+ * upper bound is zero is left out rather than written `F0-0`, and a bound below
+ * zero or past the other one is brought back inside it.
+ * @param ranges - The element ranges.
+ * @returns The range string, empty when no element is left.
+ */
+export function formatElementRanges(ranges) {
+    const parts = [];
+    for (const range of ranges) {
+        const max = Math.max(0, Math.trunc(range.max));
+        if (max === 0)
+            continue;
+        const min = Math.min(Math.max(0, Math.trunc(range.min)), max);
+        parts.push(`${range.element}${min}-${max}`);
+    }
+    return parts.join(' ');
+}
+//# sourceMappingURL=elementRanges.js.map

package/lib/formula/core/elementRanges.js.map

@@ -0,0 +1 @@
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package/lib/formula/core/formulaCandidates.d.ts

@@ -0,0 +1,59 @@
+import type { ElementRange } from './elementRanges.ts';
+/**
+ * The window a formula lookup enumerates, in ppm. It is wide on purpose: the
+ * accuracy a spectrum was measured at is read off the ppm of each formula, so
+ * the window only has to hold the closest ones as a list rather than act as a
+ * filter.
+ */
+export declare const FORMULA_LOOKUP_PRECISION = 500;
+/** How many formulas a lookup lists, closest first. */
+export declare const FORMULA_LOOKUP_LIMIT = 100;
+/** A molecular formula whose monoisotopic mass is near the one searched. */
+export interface FormulaCandidate {
+    /** The formula of the neutral molecule: `C10H14O`. */
+    mf: string;
+    /** Its monoisotopic mass, in Da. */
+    em: number;
+    /** Its unsaturation: rings plus double bonds. */
+    unsaturation: number;
+    /** How far the searched mass is from it, in ppm; positive when heavier. */
+    ppm: number;
+}
+/** The formulas a search kept, and how many fit. */
+export interface FormulaCandidates {
+    /** The closest formulas, closest first. */
+    candidates: FormulaCandidate[];
+    /** How many formulas fit the window, the ones left out included. */
+    total: number;
+}
+/** What {@link findFormulaCandidates} searches. */
+export interface FormulaCandidateOptions {
+    /**
+     * The elements, and how many atoms of each a formula may carry.
+     * @default DEFAULT_ELEMENT_RANGES
+     */
+    ranges?: readonly ElementRange[];
+    /**
+     * The window around the mass, in ppm.
+     * @default FORMULA_LOOKUP_PRECISION
+     */
+    precision?: number;
+    /**
+     * How many formulas are kept, closest first.
+     * @default FORMULA_LOOKUP_LIMIT
+     */
+    limit?: number;
+}
+/**
+ * The neutral molecular formulas whose monoisotopic mass lies within the
+ * window of a mass, closest first. Only formulas with a whole, non-negative
+ * unsaturation are kept: a neutral, even-electron molecule has no other.
+ *
+ * `mf-finder` is loaded on the first search, so a page that only draws
+ * formulas never downloads it.
+ * @param mass - The monoisotopic mass of the neutral molecule, in Da.
+ * @param options - See {@link FormulaCandidateOptions}.
+ * @returns The closest formulas, and how many fit the window.
+ */
+export declare function findFormulaCandidates(mass: number, options?: FormulaCandidateOptions): Promise<FormulaCandidates>;
+//# sourceMappingURL=formulaCandidates.d.ts.map

package/lib/formula/core/formulaCandidates.d.ts.map

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package/lib/formula/core/formulaCandidates.js

@@ -0,0 +1,50 @@
+import { DEFAULT_ELEMENT_RANGES, formatElementRanges, } from "./elementRanges.js";
+/**
+ * The window a formula lookup enumerates, in ppm. It is wide on purpose: the
+ * accuracy a spectrum was measured at is read off the ppm of each formula, so
+ * the window only has to hold the closest ones as a list rather than act as a
+ * filter.
+ */
+export const FORMULA_LOOKUP_PRECISION = 500;
+/** How many formulas a lookup lists, closest first. */
+export const FORMULA_LOOKUP_LIMIT = 100;
+/**
+ * The neutral molecular formulas whose monoisotopic mass lies within the
+ * window of a mass, closest first. Only formulas with a whole, non-negative
+ * unsaturation are kept: a neutral, even-electron molecule has no other.
+ *
+ * `mf-finder` is loaded on the first search, so a page that only draws
+ * formulas never downloads it.
+ * @param mass - The monoisotopic mass of the neutral molecule, in Da.
+ * @param options - See {@link FormulaCandidateOptions}.
+ * @returns The closest formulas, and how many fit the window.
+ */
+export async function findFormulaCandidates(mass, options = {}) {
+    const { ranges = DEFAULT_ELEMENT_RANGES, precision = FORMULA_LOOKUP_PRECISION, limit = FORMULA_LOOKUP_LIMIT, } = options;
+    const range = formatElementRanges(ranges);
+    const kept = Math.floor(limit);
+    if (!Number.isFinite(mass) || mass <= 0 || range === '' || !(kept > 0)) {
+        return { candidates: [], total: 0 };
+    }
+    const { findMFs } = await import('mf-finder');
+    // Declared as an array of results, `findMFs` resolves to `{ mfs, info }`.
+    const found = (await findMFs(mass, {
+        ranges: range,
+        precision,
+        limit: kept,
+        // Without it, a formula with no charge is never compared to the mass.
+        allowNeutral: true,
+        filter: { unsaturation: { min: 0, onlyInteger: true } },
+    }));
+    const candidates = [];
+    for (const result of found.mfs) {
+        candidates.push({
+            mf: result.mf,
+            em: result.em,
+            unsaturation: result.unsaturation,
+            ppm: result.ms.ppm,
+        });
+    }
+    return { candidates, total: found.info.numberResults };
+}
+//# sourceMappingURL=formulaCandidates.js.map

package/lib/formula/core/formulaCandidates.js.map

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package/lib/formula/core/index.d.ts

@@ -1,3 +1,7 @@
+export type { ElementRange } from './elementRanges.ts';
+export { DEFAULT_ELEMENT_RANGES, formatElementRanges, } from './elementRanges.ts';
+export type { FormulaCandidate, FormulaCandidateOptions, FormulaCandidates, } from './formulaCandidates.ts';
+export { FORMULA_LOOKUP_LIMIT, FORMULA_LOOKUP_PRECISION, findFormulaCandidates, } from './formulaCandidates.ts';
 export type { CanonicalFormulaOptions } from './formulaText.ts';
 export { atomCounts, canonicalFormula, formulaHtml, formulaText, } from './formulaText.ts';
 export { normalizeFormula } from './normalizeFormula.ts';

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

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package/lib/formula/core/index.js

@@ -1,3 +1,5 @@
+export { DEFAULT_ELEMENT_RANGES, formatElementRanges, } from "./elementRanges.js";
+export { FORMULA_LOOKUP_LIMIT, FORMULA_LOOKUP_PRECISION, findFormulaCandidates, } from "./formulaCandidates.js";
 export { atomCounts, canonicalFormula, formulaHtml, formulaText, } from "./formulaText.js";
 export { normalizeFormula } from "./normalizeFormula.js";
 export { FormulaError, atomicNumber, elementName, readFormula, } from "./readFormula.js";

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

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package/lib/formula/ui/ElementRangeFields.d.ts

@@ -0,0 +1,19 @@
+import type { ReactElement } from 'react';
+import type { ElementRange } from '../core/elementRanges.ts';
+/** What {@link ElementRangeFields} edits. */
+export interface ElementRangeFieldsProps {
+    /** The elements, and their bounds as they stand. */
+    ranges: readonly ElementRange[];
+    /** Called with the element, the bound edited and its new value. */
+    onChange: (element: string, bound: 'min' | 'max', value: number) => void;
+}
+/**
+ * The bounds of each element, written as the range they are read as:
+ * `C 1 – 30`. The dash says which box is which, so the grid needs no heading
+ * row and fits two elements to a line; each box carries its own accessible
+ * name instead.
+ * @param props - See {@link ElementRangeFieldsProps}.
+ * @returns The grid of ranges.
+ */
+export declare function ElementRangeFields(props: ElementRangeFieldsProps): ReactElement;
+//# sourceMappingURL=ElementRangeFields.d.ts.map

package/lib/formula/ui/ElementRangeFields.d.ts.map

@@ -0,0 +1 @@
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package/lib/formula/ui/ElementRangeFields.js

@@ -0,0 +1,23 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { useChromeT } from "../../i18n/ui/useT.js";
+import { NumberInput } from "../../number/ui/NumberInput.js";
+/**
+ * The bounds of each element, written as the range they are read as:
+ * `C 1 – 30`. The dash says which box is which, so the grid needs no heading
+ * row and fits two elements to a line; each box carries its own accessible
+ * name instead.
+ * @param props - See {@link ElementRangeFieldsProps}.
+ * @returns The grid of ranges.
+ */
+export function ElementRangeFields(props) {
+    const { ranges, onChange } = props;
+    const t = useChromeT();
+    return (_jsx("div", { className: "formula-lookup__ranges", children: ranges.map((range) => (_jsxs("div", { className: "formula-lookup__range", children: [_jsx("span", { className: "formula-lookup__element", children: range.element }), _jsx(NumberInput, { size: "small", buttons: false, fill: true, integer: true, min: 0, max: range.max, value: range.min, ariaLabel: t('formula.lookup.fewest', {
+                        element: range.element,
+                    }), onChange: (value) => {
+                        onChange(range.element, 'min', value);
+                    } }), _jsx("span", { className: "formula-lookup__dash", children: "\u2013" }), _jsx(NumberInput, { size: "small", buttons: false, fill: true, integer: true, min: range.min, value: range.max, ariaLabel: t('formula.lookup.most', { element: range.element }), onChange: (value) => {
+                        onChange(range.element, 'max', value);
+                    } })] }, range.element))) }));
+}
+//# sourceMappingURL=ElementRangeFields.js.map

package/lib/formula/ui/ElementRangeFields.js.map

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