react-cheminfo 0.18.0 → 0.20.0

package/lib/build/vite/buildInfo.js

@@ -10,6 +10,7 @@
  */
 import { mkdirSync, readFileSync, writeFileSync } from 'node:fs';
 import { dirname, join, resolve } from 'node:path';
+import { UNRELEASED_VERSION } from "../core/buildInfo.js";
 import { commitFromEnvironment, readGitHead } from "./gitHead.js";
 /** The module a site imports its build record from. */
 export const BUILD_INFO_MODULE = 'react-cheminfo/build-info';
@@ -73,7 +74,7 @@ export function cheminfoBuildInfo(options = {}) {
 export function resolveBuildInfo(root) {
     const repository = findRepositoryRoot(root);
     return {
-        version: readVersion(repository) ?? readVersion(root) ?? UNRELEASED,
+        version: readVersion(repository) ?? readVersion(root) ?? UNRELEASED_VERSION,
         builtAt: buildInstant(),
         commit: readGitHead(repository) ?? commitFromEnvironment(),
         reactCheminfo: readOwnVersion(),
@@ -146,6 +147,5 @@ function buildInstant() {
 }
 const RESOLVED_MODULE = `\0${BUILD_INFO_MODULE}`;
 const OWN_NAME = 'react-cheminfo';
-const UNRELEASED = '0.0.0';
 const SECOND_LENGTH = 19;
 //# sourceMappingURL=buildInfo.js.map

package/lib/build/vite/buildInfo.js.map

@@ -1 +1 @@
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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":"AACA,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,YAAY,CAAC;AAEhD,YAAY,EACV,aAAa,EACb,MAAM,EACN,cAAc,EACd,QAAQ,GACT,MAAM,YAAY,CAAC;AAEpB;;;GAGG;AACH,eAAO,MAAM,eAAe,EAAE,SAAS,aAAa,EAwQnD,CAAC;AAEF;;;;GAIG;AACH,wBAAgB,OAAO,CAAC,IAAI,EAAE,aAAa,GAAG,MAAM,CAEnD"}
+{"version":3,"file":"sites.d.ts","sourceRoot":"","sources":["../../../src/ecosystem/core/sites.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,YAAY,CAAC;AAEhD,YAAY,EACV,aAAa,EACb,MAAM,EACN,cAAc,EACd,QAAQ,GACT,MAAM,YAAY,CAAC;AAEpB;;;GAGG;AACH,eAAO,MAAM,eAAe,EAAE,SAAS,aAAa,EAoRnD,CAAC;AAEF;;;;GAIG;AACH,wBAAgB,OAAO,CAAC,IAAI,EAAE,aAAa,GAAG,MAAM,CAEnD"}

package/lib/ecosystem/core/sites.js

@@ -52,6 +52,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'openbabel', alt: 'cheminfo', dot: true },
         host: 'openbabel.cheminfo.org',
         repository: 'https://github.com/cheminfo/openbabel.cheminfo.org',
+        publicRepository: true,
         tagline: 'Convert a structure between any pair of chemical file formats.',
         group: 'structures',
         brand: '#0f766e',
@@ -74,6 +75,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'dbe', alt: 'cheminfo', dot: true },
         host: 'dbe.cheminfo.org',
         repository: 'https://github.com/cheminfo/dbe.cheminfo.org',
+        publicRepository: true,
         tagline: 'Count rings and double bonds from a formula or a structure.',
         group: 'basics',
         brand: '#63123f',
@@ -87,6 +89,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'NMR', alt: 'ium' },
         host: 'www.nmrium.org',
         repository: 'https://github.com/cheminfo/nmrium',
+        publicRepository: true,
         tagline: 'Process and assign NMR spectra in the browser.',
         group: 'spectra',
         brand: '#ea580c',
@@ -123,6 +126,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'surge', alt: 'cheminfo', dot: true },
         host: 'surge.cheminfo.org',
         repository: 'https://github.com/cheminfo/surge.cheminfo.org',
+        publicRepository: true,
         tagline: 'Every constitutional isomer of a molecular formula.',
         group: 'structures',
         brand: '#4338ca',
@@ -134,6 +138,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'tex', alt: 'cheminfo', dot: true },
         host: 'tex.cheminfo.org',
         repository: 'https://github.com/cheminfo/tex.cheminfo.org',
+        publicRepository: true,
         tagline: 'LaTeX formulas rendered to SVG or PNG from a URL.',
         group: 'computing',
         brand: '#a21caf',
@@ -156,6 +161,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'regexp', alt: 'cheminfo', dot: true },
         host: 'regexp.cheminfo.org',
         repository: 'https://github.com/cheminfo/regexp.cheminfo.org',
+        publicRepository: true,
         tagline: 'Learn regular expressions in a live playground.',
         group: 'computing',
         brand: '#1e3a8a',
@@ -167,6 +173,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'pdb', alt: 'cheminfo', dot: true },
         host: 'pdb.cheminfo.org',
         repository: 'https://github.com/cheminfo/pdb.cheminfo.org',
+        publicRepository: true,
         tagline: 'A fast look at any Protein Data Bank entry.',
         group: 'research',
         brand: '#2563eb',
@@ -178,6 +185,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'elucidation', alt: 'cheminfo', dot: true },
         host: 'elucidation.cheminfo.org',
         repository: 'https://github.com/cheminfo/elucidation.cheminfo.org',
+        publicRepository: true,
         tagline: 'A structure from a 1H NMR spectrum and a formula.',
         group: 'spectra',
         brand: '#7e22ce',
@@ -200,6 +208,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'Poly', alt: 'Carp' },
         host: 'polycarp.cheminfo.org',
         repository: 'https://github.com/cheminfo/polycarp.cheminfo.org',
+        publicRepository: true,
         tagline: 'Predict the microstructure of a radical copolymerisation.',
         group: 'research',
         brand: '#701a75',
@@ -233,6 +242,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'database', alt: 'cheminfo', dot: true },
         host: 'database.cheminfo.org',
         repository: 'https://github.com/cheminfo/database.cheminfo.org',
+        publicRepository: true,
         tagline: 'Query a real chemical dataset in SQL and in Mango.',
         group: 'research',
         brand: '#7c2d12',
@@ -244,6 +254,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'Symme', alt: 'Try' },
         host: 'symmetry.cheminfo.org',
         repository: 'https://github.com/cheminfo/symmetry.cheminfo.org',
+        publicRepository: true,
         tagline: 'Find the symmetry of a molecule, a crystal or a pattern.',
         group: 'basics',
         brand: '#9f1239',
@@ -257,6 +268,7 @@ export const ECOSYSTEM_SITES = [
         name: { lead: 'osiris', alt: 'cheminfo', dot: true },
         host: 'osiris.cheminfo.org',
         repository: 'https://github.com/cheminfo/osiris.cheminfo.org',
+        publicRepository: true,
         tagline: 'Predicted toxicity risks and properties, one molecule or many.',
         group: 'research',
         brand: '#854d0e',

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

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

@@ -34,6 +34,14 @@ export interface EcosystemSite {
     host: string;
     /** Where the sources live, and what a Source link opens. */
     repository: string;
+    /**
+     * Whether a visitor can open that repository. A private one is named
+     * nowhere: no licence-and-source section, no link from the version, no issue
+     * tracker a reader cannot reach. It is stated rather than assumed, so a site
+     * whose record forgets it advertises nothing rather than a dead link.
+     * @default false
+     */
+    publicRepository?: boolean;
     /** One line on what the site does. */
     tagline: string;
     /**

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

@@ -1 +1 @@
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package/lib/molecule3d/core/camera.d.ts

@@ -0,0 +1,89 @@
+/**
+ * Where the camera stands, in a form a link can carry.
+ *
+ * A position in ångström would not survive the trip: the molecule a link names
+ * is built again on the other side, and a distance that frames a benzene leaves
+ * a peptide off screen. So the camera is stored against the scene rather than
+ * against the coordinates — a rotation from the front view, a zoom against the
+ * distance that frames the whole model, and a target as an offset from the
+ * scene centre in bounding-sphere radii. All three read the same whatever the
+ * molecule and whatever the size of the canvas showing it.
+ */
+import type { ShareParamCodec } from '../../share/core/params.ts';
+/** A rotation, as a unit quaternion `[x, y, z, w]`. */
+export type Molecule3DRotation = readonly [number, number, number, number];
+/** A point or a direction, `[x, y, z]`. */
+export type Molecule3DVector = readonly [number, number, number];
+/** Where the camera stands, against the scene rather than its coordinates. */
+export interface Molecule3DCamera {
+    /**
+     * Rotation of the camera from the front view — looking down -z with y up —
+     * as a unit quaternion.
+     */
+    rotation: Molecule3DRotation;
+    /**
+     * How close the camera is. `1` frames the whole model, as the reset button
+     * does; `2` is twice as close, so the model is drawn twice as large.
+     */
+    zoom: number;
+    /**
+     * Where the camera looks, as an offset from the centre of the model, in
+     * bounding-sphere radii. `[0, 0, 0]` looks at the centre.
+     */
+    offset: Molecule3DVector;
+}
+/** Looking at the centre of the model from the front, framing all of it. */
+export declare const DEFAULT_MOLECULE_3D_CAMERA: Molecule3DCamera;
+/** The closest and furthest a link may ask the camera to stand. */
+export declare const MOLECULE_3D_ZOOM_RANGE: {
+    readonly minimum: 0.01;
+    readonly maximum: 100;
+};
+/**
+ * Write a camera as the text a link carries.
+ *
+ * The four components of the rotation come first, then the zoom, then the
+ * target offset — which is left out entirely while the camera looks at the
+ * centre of the model, as it does until someone pans.
+ * @param camera - The camera to write.
+ * @returns Comma-separated numbers: five, or eight when the camera is panned.
+ */
+export declare function formatMolecule3DCamera(camera: Molecule3DCamera): string;
+/**
+ * Read a camera out of the text a link carries.
+ *
+ * A rotation that is not a rotation — four zeros, a stray word — is what makes
+ * the whole value unusable; everything else is brought back into range rather
+ * than rejected, so a link written against an older range still opens.
+ * @param raw - The text of the parameter.
+ * @returns The camera, or `null` when the text does not describe one.
+ */
+export declare function parseMolecule3DCamera(raw: string): Molecule3DCamera | null;
+/**
+ * A camera with its rotation made a unit quaternion and its numbers in range.
+ * @param camera - The camera to repair.
+ * @returns A camera safe to hand the viewer; the default when the rotation is
+ * degenerate.
+ */
+export declare function normalizeMolecule3DCamera(camera: Molecule3DCamera): Molecule3DCamera;
+/**
+ * Whether two cameras are the same once written into a link.
+ *
+ * What a link carries is rounded, so two cameras a drag apart by less than the
+ * rounding are one camera as far as the address is concerned — which is what
+ * keeps a settling animation from rewriting it a dozen times.
+ * @param first - One camera, or `null` for none.
+ * @param second - The other.
+ * @returns True when a link would carry the same text for both.
+ */
+export declare function sameMolecule3DCamera(first: Molecule3DCamera | null, second: Molecule3DCamera | null): boolean;
+/**
+ * The codec a site mirrors the camera in the address with.
+ *
+ * The default framing is written as nothing at all, so the address of a page
+ * nobody has turned yet stays a plain link.
+ * @returns The codec, whose value is `null` while the camera is where a reset
+ * would leave it.
+ */
+export declare function molecule3DCameraParam(): ShareParamCodec<Molecule3DCamera | null>;
+//# sourceMappingURL=camera.d.ts.map

package/lib/molecule3d/core/camera.d.ts.map

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package/lib/molecule3d/core/camera.js

@@ -0,0 +1,172 @@
+/**
+ * Where the camera stands, in a form a link can carry.
+ *
+ * A position in ångström would not survive the trip: the molecule a link names
+ * is built again on the other side, and a distance that frames a benzene leaves
+ * a peptide off screen. So the camera is stored against the scene rather than
+ * against the coordinates — a rotation from the front view, a zoom against the
+ * distance that frames the whole model, and a target as an offset from the
+ * scene centre in bounding-sphere radii. All three read the same whatever the
+ * molecule and whatever the size of the canvas showing it.
+ */
+import { clamp } from "../../format/core/clamp.js";
+import { roundTo } from "../../format/core/roundTo.js";
+/** Looking at the centre of the model from the front, framing all of it. */
+export const DEFAULT_MOLECULE_3D_CAMERA = {
+    rotation: [0, 0, 0, 1],
+    zoom: 1,
+    offset: [0, 0, 0],
+};
+/** The closest and furthest a link may ask the camera to stand. */
+export const MOLECULE_3D_ZOOM_RANGE = { minimum: 0.01, maximum: 100 };
+/** Furthest a link may push the target from the centre, in radii. */
+const MAX_OFFSET = 100;
+/** Decimals kept of a quaternion component: 0.0001 is under a hundredth of a degree. */
+const ROTATION_DECIMALS = 4;
+/** Decimals kept of the zoom and of the target offset. */
+const POSITION_DECIMALS = 3;
+/**
+ * Write a camera as the text a link carries.
+ *
+ * The four components of the rotation come first, then the zoom, then the
+ * target offset — which is left out entirely while the camera looks at the
+ * centre of the model, as it does until someone pans.
+ * @param camera - The camera to write.
+ * @returns Comma-separated numbers: five, or eight when the camera is panned.
+ */
+export function formatMolecule3DCamera(camera) {
+    const { rotation, zoom, offset } = normalizeMolecule3DCamera(camera);
+    const parts = [];
+    for (let index = 0; index < 4; index++) {
+        parts.push(String(roundTo(rotation[index] ?? 0, ROTATION_DECIMALS)));
+    }
+    parts.push(String(roundTo(zoom, POSITION_DECIMALS)));
+    if (offset[0] !== 0 || offset[1] !== 0 || offset[2] !== 0) {
+        for (const value of offset) {
+            parts.push(String(roundTo(value, POSITION_DECIMALS)));
+        }
+    }
+    return parts.join(',');
+}
+/**
+ * Read a camera out of the text a link carries.
+ *
+ * A rotation that is not a rotation — four zeros, a stray word — is what makes
+ * the whole value unusable; everything else is brought back into range rather
+ * than rejected, so a link written against an older range still opens.
+ * @param raw - The text of the parameter.
+ * @returns The camera, or `null` when the text does not describe one.
+ */
+export function parseMolecule3DCamera(raw) {
+    const parts = raw.split(',');
+    if (parts.length !== 5 && parts.length !== 8)
+        return null;
+    const numbers = [];
+    for (const part of parts) {
+        const value = Number(part.trim());
+        if (!Number.isFinite(value))
+            return null;
+        numbers.push(value);
+    }
+    const rotation = normalizeRotation([
+        numbers[0] ?? 0,
+        numbers[1] ?? 0,
+        numbers[2] ?? 0,
+        numbers[3] ?? 1,
+    ]);
+    if (rotation === null)
+        return null;
+    return {
+        rotation,
+        zoom: clampZoom(numbers[4] ?? 1),
+        offset: [
+            clampOffset(numbers[5] ?? 0),
+            clampOffset(numbers[6] ?? 0),
+            clampOffset(numbers[7] ?? 0),
+        ],
+    };
+}
+/**
+ * A camera with its rotation made a unit quaternion and its numbers in range.
+ * @param camera - The camera to repair.
+ * @returns A camera safe to hand the viewer; the default when the rotation is
+ * degenerate.
+ */
+export function normalizeMolecule3DCamera(camera) {
+    const rotation = normalizeRotation(camera.rotation);
+    if (rotation === null)
+        return DEFAULT_MOLECULE_3D_CAMERA;
+    return {
+        rotation,
+        zoom: clampZoom(camera.zoom),
+        offset: [
+            clampOffset(camera.offset[0]),
+            clampOffset(camera.offset[1]),
+            clampOffset(camera.offset[2]),
+        ],
+    };
+}
+/**
+ * Whether two cameras are the same once written into a link.
+ *
+ * What a link carries is rounded, so two cameras a drag apart by less than the
+ * rounding are one camera as far as the address is concerned — which is what
+ * keeps a settling animation from rewriting it a dozen times.
+ * @param first - One camera, or `null` for none.
+ * @param second - The other.
+ * @returns True when a link would carry the same text for both.
+ */
+export function sameMolecule3DCamera(first, second) {
+    if (first === null || second === null)
+        return first === second;
+    return formatMolecule3DCamera(first) === formatMolecule3DCamera(second);
+}
+/**
+ * The codec a site mirrors the camera in the address with.
+ *
+ * The default framing is written as nothing at all, so the address of a page
+ * nobody has turned yet stays a plain link.
+ * @returns The codec, whose value is `null` while the camera is where a reset
+ * would leave it.
+ */
+export function molecule3DCameraParam() {
+    return {
+        parse(raw) {
+            return raw === null ? null : parseMolecule3DCamera(raw);
+        },
+        serialize(value) {
+            if (value === null)
+                return null;
+            const text = formatMolecule3DCamera(value);
+            return text === formatMolecule3DCamera(DEFAULT_MOLECULE_3D_CAMERA)
+                ? null
+                : text;
+        },
+    };
+}
+function normalizeRotation(rotation) {
+    let squared = 0;
+    for (let index = 0; index < 4; index++) {
+        const value = rotation[index] ?? 0;
+        if (!Number.isFinite(value))
+            return null;
+        squared += value * value;
+    }
+    if (squared <= 0)
+        return null;
+    const scale = 1 / Math.sqrt(squared);
+    return [
+        rotation[0] * scale,
+        rotation[1] * scale,
+        rotation[2] * scale,
+        rotation[3] * scale,
+    ];
+}
+function clampZoom(zoom) {
+    const { minimum, maximum } = MOLECULE_3D_ZOOM_RANGE;
+    return clamp(zoom, minimum, maximum, 1);
+}
+function clampOffset(value) {
+    return clamp(value, -MAX_OFFSET, MAX_OFFSET, 0);
+}
+//# sourceMappingURL=camera.js.map

package/lib/molecule3d/core/camera.js.map

@@ -0,0 +1 @@
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package/lib/molecule3d/core/index.d.ts

@@ -1,3 +1,5 @@
+export type { Molecule3DCamera, Molecule3DRotation, Molecule3DVector, } from './camera.ts';
+export { DEFAULT_MOLECULE_3D_CAMERA, MOLECULE_3D_ZOOM_RANGE, formatMolecule3DCamera, molecule3DCameraParam, normalizeMolecule3DCamera, parseMolecule3DCamera, sameMolecule3DCamera, } from './camera.ts';
 export type { ImageSize } from './exportImage.ts';
 export { dataUriBytes, rasterSvgMarkup } from './exportImage.ts';
 export type { Molecule3DGesture, Molecule3DGestureKey } from './gestures.ts';

package/lib/molecule3d/core/index.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EAAE,SAAS,EAAE,MAAM,kBAAkB,CAAC;AAClD,OAAO,EAAE,YAAY,EAAE,eAAe,EAAE,MAAM,kBAAkB,CAAC;AACjE,YAAY,EAAE,iBAAiB,EAAE,oBAAoB,EAAE,MAAM,eAAe,CAAC;AAC7E,OAAO,EAAE,oBAAoB,EAAE,MAAM,eAAe,CAAC;AACrD,YAAY,EACV,aAAa,EACb,WAAW,EACX,eAAe,GAChB,MAAM,kBAAkB,CAAC;AAC1B,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EACV,cAAc,EACd,kBAAkB,EAClB,eAAe,EACf,gBAAgB,EAChB,iBAAiB,GAClB,MAAM,eAAe,CAAC;AACvB,OAAO,EACL,4BAA4B,EAC5B,yBAAyB,EACzB,kBAAkB,EAClB,eAAe,EACf,qBAAqB,EACrB,qBAAqB,EACrB,iBAAiB,EACjB,uBAAuB,EACvB,kBAAkB,EAClB,mBAAmB,EACnB,2BAA2B,EAC3B,sBAAsB,GACvB,MAAM,eAAe,CAAC"}
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/core/index.ts"],"names":[],"mappings":"AAAA,YAAY,EACV,gBAAgB,EAChB,kBAAkB,EAClB,gBAAgB,GACjB,MAAM,aAAa,CAAC;AACrB,OAAO,EACL,0BAA0B,EAC1B,sBAAsB,EACtB,sBAAsB,EACtB,qBAAqB,EACrB,yBAAyB,EACzB,qBAAqB,EACrB,oBAAoB,GACrB,MAAM,aAAa,CAAC;AACrB,YAAY,EAAE,SAAS,EAAE,MAAM,kBAAkB,CAAC;AAClD,OAAO,EAAE,YAAY,EAAE,eAAe,EAAE,MAAM,kBAAkB,CAAC;AACjE,YAAY,EAAE,iBAAiB,EAAE,oBAAoB,EAAE,MAAM,eAAe,CAAC;AAC7E,OAAO,EAAE,oBAAoB,EAAE,MAAM,eAAe,CAAC;AACrD,YAAY,EACV,aAAa,EACb,WAAW,EACX,eAAe,GAChB,MAAM,kBAAkB,CAAC;AAC1B,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAC1B,YAAY,EACV,cAAc,EACd,kBAAkB,EAClB,eAAe,EACf,gBAAgB,EAChB,iBAAiB,GAClB,MAAM,eAAe,CAAC;AACvB,OAAO,EACL,4BAA4B,EAC5B,yBAAyB,EACzB,kBAAkB,EAClB,eAAe,EACf,qBAAqB,EACrB,qBAAqB,EACrB,iBAAiB,EACjB,uBAAuB,EACvB,kBAAkB,EAClB,mBAAmB,EACnB,2BAA2B,EAC3B,sBAAsB,GACvB,MAAM,eAAe,CAAC"}

package/lib/molecule3d/core/index.js

@@ -1,3 +1,4 @@
+export { DEFAULT_MOLECULE_3D_CAMERA, MOLECULE_3D_ZOOM_RANGE, formatMolecule3DCamera, molecule3DCameraParam, normalizeMolecule3DCamera, parseMolecule3DCamera, sameMolecule3DCamera, } from "./camera.js";
 export { dataUriBytes, rasterSvgMarkup } from "./exportImage.js";
 export { MOLECULE_3D_GESTURES } from "./gestures.js";
 export { MEASUREMENT_ATOM_COUNTS, MEASUREMENT_KINDS, MEASUREMENT_LABELS, } from "./measurement.js";

package/lib/molecule3d/core/index.js.map

@@ -1 +1 @@
-{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/molecule3d/core/index.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,YAAY,EAAE,eAAe,EAAE,MAAM,kBAAkB,CAAC;AAEjE,OAAO,EAAE,oBAAoB,EAAE,MAAM,eAAe,CAAC;AAMrD,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAQ1B,OAAO,EACL,4BAA4B,EAC5B,yBAAyB,EACzB,kBAAkB,EAClB,eAAe,EACf,qBAAqB,EACrB,qBAAqB,EACrB,iBAAiB,EACjB,uBAAuB,EACvB,kBAAkB,EAClB,mBAAmB,EACnB,2BAA2B,EAC3B,sBAAsB,GACvB,MAAM,eAAe,CAAC"}
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/molecule3d/core/index.ts"],"names":[],"mappings":"AAKA,OAAO,EACL,0BAA0B,EAC1B,sBAAsB,EACtB,sBAAsB,EACtB,qBAAqB,EACrB,yBAAyB,EACzB,qBAAqB,EACrB,oBAAoB,GACrB,MAAM,aAAa,CAAC;AAErB,OAAO,EAAE,YAAY,EAAE,eAAe,EAAE,MAAM,kBAAkB,CAAC;AAEjE,OAAO,EAAE,oBAAoB,EAAE,MAAM,eAAe,CAAC;AAMrD,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,kBAAkB,CAAC;AAQ1B,OAAO,EACL,4BAA4B,EAC5B,yBAAyB,EACzB,kBAAkB,EAClB,eAAe,EACf,qBAAqB,EACrB,qBAAqB,EACrB,iBAAiB,EACjB,uBAAuB,EACvB,kBAAkB,EAClB,mBAAmB,EACnB,2BAA2B,EAC3B,sBAAsB,GACvB,MAAM,eAAe,CAAC"}

package/lib/molecule3d/ui/MoleculeCanvas3D.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"MoleculeCanvas3D.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/MoleculeCanvas3D.tsx"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAezD,OAAO,KAAK,EAAE,qBAAqB,EAAE,MAAM,4BAA4B,CAAC;AAOxE,yCAAyC;AACzC,MAAM,WAAW,qBAAsB,SAAQ,IAAI,CACjD,qBAAqB,EACrB,UAAU,GAAG,mBAAmB,CACjC;IACC,2EAA2E;IAC3E,eAAe,EAAE,CAAC,OAAO,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CACnD;AAED;;;;GAIG;AACH,wBAAgB,gBAAgB,CAAC,KAAK,EAAE,qBAAqB,GAAG,YAAY,CAyK3E"}
+{"version":3,"file":"MoleculeCanvas3D.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/MoleculeCanvas3D.tsx"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAczD,OAAO,KAAK,EAAE,qBAAqB,EAAE,MAAM,4BAA4B,CAAC;AAOxE,yCAAyC;AACzC,MAAM,WAAW,qBAAsB,SAAQ,IAAI,CACjD,qBAAqB,EACrB,UAAU,GAAG,mBAAmB,CACjC;IACC,2EAA2E;IAC3E,eAAe,EAAE,CAAC,OAAO,EAAE,MAAM,GAAG,IAAI,KAAK,IAAI,CAAC;CACnD;AAED;;;;GAIG;AACH,wBAAgB,gBAAgB,CAAC,KAAK,EAAE,qBAAqB,GAAG,YAAY,CA6I3E"}

package/lib/molecule3d/ui/MoleculeCanvas3D.js

@@ -1,15 +1,15 @@
 import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
-import { useCallback, useEffect, useRef, useState } from 'react';
+import { useEffect, useRef, useState } from 'react';
 import { normalizeMolecule3DSettings, resolveMolecule3DTools, } from "../core/settings.js";
 import { Molecule3DExport } from "./Molecule3DExport.js";
 import { Molecule3DOptions } from "./Molecule3DOptions.js";
 import { Molecule3DToolbar } from "./Molecule3DToolbar.js";
 import { DEFAULT_SPIN_SPEED } from "./camera.js";
-import { drawScene } from "./drawScene.js";
+import { createMolecule3DViewer } from "./createViewer.js";
 import { useControlledState } from "./useControlledState.js";
 import { useImageExport } from "./useImageExport.js";
+import { useMoleculeScene } from "./useMoleculeScene.js";
 import { usePolarSurfaceArea } from "./usePolarSurfaceArea.js";
-import { createMolecule3DViewer } from "./viewer.js";
 /**
  * Mount one molstar canvas and keep it showing what the props describe.
  * @param props - See {@link MoleculeCanvas3DProps}.
@@ -27,7 +27,6 @@ export function MoleculeCanvas3D(props) {
     // effect keyed on it runs again, in order, after the viewer exists.
     const [container, setContainer] = useState(null);
     const viewerRef = useRef(null);
-    const framedRef = useRef(null);
     // The viewer is created once, so what its callbacks read is kept fresh here.
     const latest = useRef({
         measurements,
@@ -64,45 +63,23 @@ export function MoleculeCanvas3D(props) {
             viewer.dispose();
         };
     }, [container]);
-    // One animation frame of coalescing, so dragging a slider costs one rebuild.
-    useEffect(() => {
-        const viewer = viewerRef.current;
-        if (container === null || viewer === null)
-            return;
-        let cancelled = false;
-        const frame = requestAnimationFrame(() => {
-            // Framed on a new molecule or a new viewer, never on a restyle: a slider
-            // that snapped the camera back would undo the reader's orientation.
-            const framed = framedRef.current;
-            const isNew = molfile !== null &&
-                (framed?.molfile !== molfile || framed.viewer !== viewer);
-            framedRef.current = molfile === null ? null : { molfile, viewer };
-            const frameCamera = isNew ? frameNewMolecule : 'none';
-            void drawScene(viewer, molfile, settings, measurements, frameCamera)
-                .then(() => {
-                if (!cancelled)
-                    latest.current.onFailureChange(null);
-            })
-                .catch((error) => {
-                if (cancelled)
-                    return;
-                latest.current.onFailureChange(error instanceof Error ? error.message : String(error));
-            });
-        });
-        return () => {
-            cancelled = true;
-            cancelAnimationFrame(frame);
-        };
-    }, [container, molfile, frameNewMolecule, settings, measurements]);
     useEffect(() => {
         void viewerRef.current?.setSpin(spinning, spinSpeed);
     }, [container, spinning, spinSpeed]);
     useEffect(() => {
         void viewerRef.current?.setMeasureKind(measureKind);
     }, [container, measureKind]);
-    const resetView = useCallback(() => {
-        void viewerRef.current?.resetCamera();
-    }, []);
+    const { resetView } = useMoleculeScene({
+        container,
+        viewerRef,
+        molfile,
+        frameNewMolecule,
+        settings,
+        measurements,
+        spinning,
+        onFailureChange,
+        camera: props,
+    });
     const { canvasSize, exportImage } = useImageExport(container, viewerRef, fileName);
     return (_jsxs("div", { style: { ...STAGE_STYLE, minHeight }, children: [_jsx("div", { ref: setContainer, style: CANVAS_STYLE, "data-testid": "molecule3d" }), molfile !== null && (_jsx("div", { style: OVERLAY_STYLE, children: _jsx(Molecule3DToolbar, { tools: tools, measureKind: measureKind, onMeasureKindChange: setMeasureKind, measurementCount: measurements.length, onClearMeasurements: () => {
                         setMeasurements(NO_MEASUREMENTS);

package/lib/molecule3d/ui/MoleculeCanvas3D.js.map

@@ -1 +1 @@
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