react-cheminfo 0.4.1 → 0.7.0

package/lib/seo/vite/prerender.js.map

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

@@ -11,6 +11,7 @@ export * from './error/ui/index.ts';
 export * from './help/ui/index.ts';
 export * from './hooks/ui/index.ts';
 export * from './pedagogy/ui/index.ts';
+export * from './periodic/ui/index.ts';
 export * from './share/ui/index.ts';
 export * from './shared/ui/index.ts';
 export * from './state/ui/index.ts';

package/lib/ui.d.ts.map

@@ -1 +1 @@
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+{"version":3,"file":"ui.d.ts","sourceRoot":"","sources":["../src/ui.ts"],"names":[],"mappings":"AAAA,cAAc,uBAAuB,CAAC;AACtC,cAAc,sBAAsB,CAAC;AACrC,cAAc,wBAAwB,CAAC;AACvC,cAAc,yBAAyB,CAAC;AACxC,cAAc,qBAAqB,CAAC;AACpC,cAAc,uBAAuB,CAAC;AACtC,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,qBAAqB,CAAC;AACpC,cAAc,oBAAoB,CAAC;AACnC,cAAc,qBAAqB,CAAC;AACpC,cAAc,wBAAwB,CAAC;AACvC,cAAc,wBAAwB,CAAC;AACvC,cAAc,qBAAqB,CAAC;AACpC,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC"}

package/lib/ui.js

@@ -11,6 +11,7 @@ export * from "./error/ui/index.js";
 export * from "./help/ui/index.js";
 export * from "./hooks/ui/index.js";
 export * from "./pedagogy/ui/index.js";
+export * from "./periodic/ui/index.js";
 export * from "./share/ui/index.js";
 export * from "./shared/ui/index.js";
 export * from "./state/ui/index.js";

package/lib/ui.js.map

@@ -1 +1 @@
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+{"version":3,"file":"ui.js","sourceRoot":"","sources":["../src/ui.ts"],"names":[],"mappings":"AAAA,cAAc,uBAAuB,CAAC;AACtC,cAAc,sBAAsB,CAAC;AACrC,cAAc,wBAAwB,CAAC;AACvC,cAAc,yBAAyB,CAAC;AACxC,cAAc,qBAAqB,CAAC;AACpC,cAAc,uBAAuB,CAAC;AACtC,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,qBAAqB,CAAC;AACpC,cAAc,oBAAoB,CAAC;AACnC,cAAc,qBAAqB,CAAC;AACpC,cAAc,wBAAwB,CAAC;AACvC,cAAc,wBAAwB,CAAC;AACvC,cAAc,qBAAqB,CAAC;AACpC,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC"}

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "react-cheminfo",
-  "version": "0.4.1",
+  "version": "0.7.0",
   "license": "MIT",
   "description": "Assembled React components shared by the cheminfo sites: a Cite button and an ecosystem menu",
   "author": "Luc Patiny",
@@ -54,6 +54,7 @@
     "@types/react-dom": "^19.2.4",
     "@vitest/coverage-v8": "^4.1.10",
     "@zakodium/tsconfig": "^1.0.5",
+    "chemical-elements": "^2.3.2",
     "eslint": "^9.39.5",
     "eslint-config-cheminfo-react": "^20.1.0",
     "eslint-config-cheminfo-typescript": "^22.1.0",

package/src/citation/core/index.ts

@@ -12,6 +12,7 @@ export {
   citationFilename,
   formatCitation,
 } from './formats.ts';
+export { PLATFORM_PAPER, PLATFORM_WORK } from './platformPaper.ts';
 export type { Reference, ReferenceAuthor } from './reference.ts';
 export { doiUrl } from './reference.ts';
 export type {

package/src/citation/core/platformPaper.ts

@@ -0,0 +1,32 @@
+import type { Reference } from './reference.ts';
+import type { CitedWork } from './works.ts';
+
+/**
+ * The platform every site of the family runs on: chemical data processed in the
+ * browser, which is what makes these applications rather than queues of jobs.
+ * One record holds it, so no site can name a different version of it.
+ */
+export const PLATFORM_PAPER: Reference = {
+  authors: [{ given: 'L.', family: 'Patiny' }],
+  title:
+    'Unlocking the Potential of Browser-Based Scientific Data Analysis: A 20-Year Journey of Expertise',
+  journal: 'CHIMIA',
+  journalAbbreviation: 'Chimia',
+  year: 2025,
+  volume: '79',
+  issue: '1-2',
+  firstPage: '66',
+  lastPage: '69',
+  doi: '10.2533/chimia.2025.66',
+  publisher: 'Swiss Chemical Society',
+};
+
+/**
+ * The platform paper as the second work a site asks to be cited, after the work
+ * the tool itself implements.
+ */
+export const PLATFORM_WORK: CitedWork = {
+  reference: PLATFORM_PAPER,
+  what: 'Data processing in the browser',
+  note: 'Cite it for the site itself, which runs in the browser.',
+};

package/src/color/core/index.ts

@@ -1,4 +1,9 @@
 export type { ReadableInkOptions } from './contrast.ts';
 export { contrastRatio, readableInk, relativeLuminance } from './contrast.ts';
 export type { PositionInRangeOptions, Swatch } from './scale.ts';
-export { VIRIDIS_SCALE, positionInRange, swatchFromScale } from './scale.ts';
+export {
+  VIRIDIS_SCALE,
+  colorFromScale,
+  positionInRange,
+  swatchFromScale,
+} from './scale.ts';

package/src/core.ts

@@ -8,6 +8,7 @@ export * from './ecosystem/core/index.ts';
 export * from './format/core/index.ts';
 export * from './orbital/core/index.ts';
 export * from './pedagogy/core/index.ts';
+export * from './periodic/core/index.ts';
 export * from './router/core/index.ts';
 export * from './seo/core/index.ts';
 export * from './share/core/index.ts';

package/src/ecosystem/core/sites.ts

@@ -5,6 +5,7 @@ export type SiteId =
   | 'smiles'
   | 'chemcalc'
   | 'nmrium'
+  | 'derepflow'
   | 'surge'
   | 'tex'
   | 'lcao'
@@ -106,8 +107,8 @@ export const ECOSYSTEM_SITES: readonly EcosystemSite[] = [
     repository: 'https://github.com/cheminfo/chemcalc.org',
     tagline: 'Molecular formula, exact mass and isotopic distribution.',
     brand: '#5b52e0',
-    brandAlt: '#0d9488',
-    mark: { plate: '#5b52e0', accent: '#09d3ac' },
+    brandAlt: '#d63384',
+    mark: { plate: '#5b52e0', accent: '#ff8ac2' },
   },
   {
     id: 'nmrium',
@@ -119,6 +120,16 @@ export const ECOSYSTEM_SITES: readonly EcosystemSite[] = [
     brandAlt: '#2b143e',
     mark: { plate: '#2b143e', accent: '#ea580c' },
   },
+  {
+    id: 'derepflow',
+    name: { lead: 'Derep', alt: 'Flow' },
+    host: 'derepflow.cheminfo.org',
+    repository: 'https://github.com/cheminfo/derepflow',
+    tagline: 'Identify the constituents of a mixture from its ¹³C spectrum.',
+    brand: '#be185d',
+    brandAlt: '#0f766e',
+    mark: { plate: '#be185d', accent: '#0d9488' },
+  },
   {
     id: 'surge',
     name: { lead: 'surge', alt: 'cheminfo', dot: true },
@@ -195,9 +206,9 @@ export const ECOSYSTEM_SITES: readonly EcosystemSite[] = [
     host: 'polycarp.cheminfo.org',
     repository: 'https://github.com/cheminfo/polycarp.cheminfo.org',
     tagline: 'Predict the microstructure of a radical copolymerisation.',
-    brand: '#0d1d37',
-    brandAlt: '#0c9ba3',
-    mark: { plate: '#0d1d37', accent: '#0c9ba3' },
+    brand: '#701a75',
+    brandAlt: '#4d7c0f',
+    mark: { plate: '#701a75', accent: '#a3e635' },
   },
   {
     id: '3d',

package/src/ecosystem/ui/glyphs.tsx

@@ -74,6 +74,25 @@ export const GLYPHS: Record<SiteId, (alt: string) => ReactNode> = {
       <path d="M23 24V18" stroke="#ffffff" />
     </g>
   ),
+  // Three peaks of a mixture over the funnel that narrows them to one compound,
+  // which is the dereplication this one does.
+  derepflow: (alt) => (
+    <>
+      <g stroke="#ffffff" strokeWidth="4" strokeLinecap="round" fill="none">
+        <path d="M7 15.6V9.4" />
+        <path d="M16 15.6V4.6" />
+        <path d="M25 15.6v-4.6" />
+      </g>
+      <path
+        d="M6.2 20.4 16 27 25.8 20.4"
+        stroke={alt}
+        strokeWidth="4"
+        strokeLinecap="round"
+        strokeLinejoin="round"
+        fill="none"
+      />
+    </>
+  ),
   // The official NMRium symbol, from `Logo.tsx` of the NMRium sources: the
   // orange half is theirs, and the half their logo sets in plum is set in white
   // here because the plate already is that plum.

package/src/orbital/core/index.ts

@@ -60,4 +60,4 @@ export type {
 } from './sample.ts';
 export { runAtomicSample } from './sample.ts';
 export type { Screening } from './screening.ts';
-export { slaterScreening } from './screening.ts';
+export { groupRank, slaterScreening } from './screening.ts';

package/src/orbital/ui/AtomicOrbitalCanvas.tsx

@@ -15,6 +15,7 @@ import { PHASE_PALETTES } from '../core/palette.ts';
 import type { AtomicSampler } from '../core/sample.ts';
 import { sampleInProcess } from '../core/sample.ts';
 
+import { DEFAULT_SPIN_SPEED } from './camera.ts';
 import type { OrbitalViewer } from './viewer.ts';
 import { createOrbitalViewer } from './viewer.ts';
 
@@ -44,6 +45,11 @@ export interface AtomicOrbitalCanvasProps {
    * @default false
    */
   spinning?: boolean;
+  /**
+   * How fast it turns, in molstar's own spin unit. Lower is slower.
+   * @default 0.3
+   */
+  spinSpeed?: number;
   /**
    * How the field is produced. Supply a worker-backed sampler to keep the main
    * thread free; the default runs in process.
@@ -77,6 +83,7 @@ export function AtomicOrbitalCanvas(
     palette = PHASE_PALETTES.textbook,
     resolution = DEFAULT_RESOLUTION,
     spinning = false,
+    spinSpeed = DEFAULT_SPIN_SPEED,
     sample = sampleInProcess,
     onNodeRadii,
     onError,
@@ -144,8 +151,8 @@ export function AtomicOrbitalCanvas(
   }, [atomicNumber, orbitalId, resolution, palette, sample, wanted]);
 
   useEffect(() => {
-    void viewerRef.current?.setSpin(spinning);
-  }, [spinning]);
+    void viewerRef.current?.setSpin(spinning, spinSpeed);
+  }, [spinning, spinSpeed]);
 
   return (
     <div ref={containerRef} style={CANVAS_STYLE}>

package/src/orbital/ui/AtomicOrbitalViewer.tsx

@@ -56,6 +56,11 @@ export interface AtomicOrbitalViewerProps {
    * @default false
    */
   spinning?: boolean;
+  /**
+   * How fast it turns, in molstar's own spin unit. Lower is slower.
+   * @default 0.3
+   */
+  spinSpeed?: number;
   /**
    * How the field is produced. Supply a worker-backed sampler to keep the main
    * thread free; the default runs in process.

package/src/orbital/ui/axesGeometry.ts

@@ -0,0 +1,91 @@
+/**
+ * The geometry of the cartesian frame: three rods through the origin and the
+ * three letters that name them.
+ *
+ * It is arithmetic over positions, which is why it is here rather than in
+ * `renderAxes.ts` — that module is about representations, exactly as
+ * `volumeField.ts` is to `renderVolume.ts`.
+ */
+
+import { addCylinder } from 'molstar/lib/mol-geo/geometry/mesh/builder/cylinder.js';
+import { MeshBuilder } from 'molstar/lib/mol-geo/geometry/mesh/mesh-builder.js';
+import type { Mesh } from 'molstar/lib/mol-geo/geometry/mesh/mesh.js';
+import { TextBuilder } from 'molstar/lib/mol-geo/geometry/text/text-builder.js';
+import type { Text } from 'molstar/lib/mol-geo/geometry/text/text.js';
+import { Vec3 } from 'molstar/lib/mol-math/linear-algebra.js';
+
+/** How far a rod, and a label, sit from the origin as fractions of the reach. */
+export const ROD_LENGTH = 1.06;
+export const LABEL_SIZE = 0.1;
+
+/** Rod radius, as a fraction of the reach. */
+const ROD_RADIUS = 0.006;
+
+/** Arrowhead length as a fraction of the rod's half-length. */
+const HEAD_LENGTH = 0.06;
+
+/** Arrowhead radius as a multiple of the rod's. */
+const HEAD_FLARE = 4;
+
+/** x, y and z, in the order their labels are given in. */
+const AXIS_DIRECTIONS = [
+  Vec3.create(1, 0, 0),
+  Vec3.create(0, 1, 0),
+  Vec3.create(0, 0, 1),
+] as const;
+
+/**
+ * Three rods through the origin, each with an arrowhead on its positive end.
+ * @param reach - How far the orbital reaches, in scene units.
+ * @returns The mesh, one group per axis.
+ */
+export function buildAxisRods(reach: number): Mesh {
+  const state = MeshBuilder.createState(1024, 512);
+  const length = reach * ROD_LENGTH;
+  const radius = reach * ROD_RADIUS;
+  const head = length * HEAD_LENGTH;
+  for (const [axis, direction] of AXIS_DIRECTIONS.entries()) {
+    state.currentGroup = axis;
+    const start = Vec3.scale(Vec3.zero(), direction, -length);
+    const neck = Vec3.scale(Vec3.zero(), direction, length - head);
+    const tip = Vec3.scale(Vec3.zero(), direction, length);
+    addCylinder(state, start, neck, 1, {
+      radiusTop: radius,
+      radiusBottom: radius,
+      topCap: true,
+      bottomCap: true,
+      radialSegments: 12,
+    });
+    addCylinder(state, neck, tip, 1, {
+      radiusTop: 0,
+      radiusBottom: radius * HEAD_FLARE,
+      topCap: true,
+      bottomCap: true,
+      radialSegments: 16,
+    });
+  }
+  return MeshBuilder.getMesh(state);
+}
+
+/**
+ * One label just beyond each arrowhead.
+ * @param at - Distance from the origin the labels sit at, in scene units.
+ * @param labels - What the axes are called, in x, y, z order.
+ * @returns The text geometry, one group per axis.
+ */
+export function buildAxisLabels(at: number, labels: readonly string[]): Text {
+  const builder = TextBuilder.create({}, 3, 3);
+  for (const [axis, direction] of AXIS_DIRECTIONS.entries()) {
+    const position = Vec3.scale(Vec3.zero(), direction, at);
+    builder.add(
+      labels[axis] ?? '',
+      position[0] as number,
+      position[1] as number,
+      position[2] as number,
+      0,
+      1,
+      axis,
+    );
+  }
+  return builder.getText();
+}

package/src/orbital/ui/camera.ts

@@ -10,6 +10,14 @@ import type { PluginContext } from 'molstar/lib/mol-plugin/context.js';
 /** Transition length used when the caller does not pick one, milliseconds. */
 export const DEFAULT_CAMERA_DURATION = 250;
 
+/**
+ * Turn rate used when the caller does not pick one, in molstar's own spin unit.
+ *
+ * A lobe has to stay in one place long enough to be read; molstar's own 1 turns
+ * an orbital fast enough that the phases blur into each other.
+ */
+export const DEFAULT_SPIN_SPEED = 0.3;
+
 /**
  * Fraction of the bounding sphere kept as breathing room around the orbital.
  *
@@ -113,7 +121,7 @@ export function frameOrbital(
 export function setSpin(
   plugin: PluginContext,
   spinning: boolean,
-  speed = 1,
+  speed = DEFAULT_SPIN_SPEED,
 ): void {
   plugin.canvas3d?.setProps({
     trackball: {

package/src/orbital/ui/renderAxes.ts

@@ -0,0 +1,190 @@
+/**
+ * The cartesian frame an atomic orbital is read against.
+ *
+ * A `3d_xz` is only `3d_xz` because of where its lobes sit relative to x and
+ * z, and a lone isosurface on a blank canvas says nothing about that: the
+ * student is looking at four identical lobes and has to take the label's word
+ * for it. Three labelled axes through the nucleus are what turn the picture
+ * back into the diagram their textbook draws.
+ *
+ * The axes are neutral grey on purpose. The phase palette already owns colour
+ * here — blue against red, or blue against amber — so the usual red/green/blue
+ * axis convention would compete with the one thing the surface is saying, and
+ * the labels tell the three apart anyway.
+ *
+ * Like the isosurfaces, the representations live outside the state tree and
+ * are tracked per plugin.
+ */
+
+import { Mesh } from 'molstar/lib/mol-geo/geometry/mesh/mesh.js';
+import { Text } from 'molstar/lib/mol-geo/geometry/text/text.js';
+import { Shape } from 'molstar/lib/mol-model/shape.js';
+import type { PluginContext } from 'molstar/lib/mol-plugin/context.js';
+import type { Representation } from 'molstar/lib/mol-repr/representation.js';
+// Lowercased on import: it is a factory, not a constructor.
+import { ShapeRepresentation as shapeRepresentation } from 'molstar/lib/mol-repr/shape/representation.js';
+import { Color } from 'molstar/lib/mol-util/color/color.js';
+
+import {
+  LABEL_SIZE,
+  ROD_LENGTH,
+  buildAxisLabels,
+  buildAxisRods,
+} from './axesGeometry.ts';
+
+/** How the cartesian frame is drawn. */
+export interface AxesStyle {
+  /**
+   * Colour of the three rods, as `#rrggbb`.
+   * @default '#64748b'
+   */
+  colour?: string;
+  /**
+   * Colour of the three labels, as `#rrggbb`.
+   * @default '#334155'
+   */
+  labelColour?: string;
+  /**
+   * What the axes are called, in x, y, z order.
+   * @default ['x', 'y', 'z']
+   */
+  labels?: readonly [string, string, string];
+}
+
+/**
+ * Draw a labelled x, y, z frame through the origin, replacing any previous one.
+ * @param plugin - The molstar context.
+ * @param reach - How far the orbital reaches, in scene units — what
+ * `renderSampledVolume` returned.
+ * @param style - See {@link AxesStyle}.
+ * @returns How far the frame reaches, labels included, in scene units: what a
+ * camera has to frame for the whole of it to be on screen.
+ * @throws {Error} When the canvas is not ready.
+ */
+export async function renderOrbitalAxes(
+  plugin: PluginContext,
+  reach: number,
+  style: AxesStyle = {},
+): Promise<number> {
+  const canvas3d = plugin.canvas3d;
+  if (canvas3d === undefined) {
+    throw new Error('renderOrbitalAxes: the molstar canvas is not ready.');
+  }
+  const {
+    colour = '#64748b',
+    labelColour = '#334155',
+    labels = ['x', 'y', 'z'],
+  } = style;
+  clearOrbitalAxes(plugin);
+  if (reach <= 0) return 0;
+
+  const labelSize = reach * LABEL_SIZE;
+  const labelAt = reach * ROD_LENGTH + labelSize;
+  const drawn = await Promise.all([
+    createRods(plugin, buildAxisRods(reach), colour),
+    createLabels(
+      plugin,
+      buildAxisLabels(labelAt, labels),
+      labelColour,
+      labelSize,
+    ),
+  ]);
+  representations.set(plugin, drawn);
+  for (const representation of drawn) canvas3d.add(representation);
+  // add() only queues; nothing appears until the queue is committed.
+  canvas3d.commit();
+  return labelAt + labelSize / 2;
+}
+
+/**
+ * Remove the frame, leaving anything else on the canvas.
+ * @param plugin - The molstar context.
+ */
+export function clearOrbitalAxes(plugin: PluginContext): void {
+  const previous = representations.get(plugin);
+  if (previous === undefined) return;
+  representations.delete(plugin);
+  for (const representation of previous) {
+    plugin.canvas3d?.remove(representation);
+  }
+  plugin.canvas3d?.commit();
+}
+
+/**
+ * The rods, as a representation the canvas can hold.
+ * @param plugin - The molstar context.
+ * @param mesh - The rod mesh.
+ * @param colour - Rod colour, as `#rrggbb`.
+ * @returns The representation.
+ */
+async function createRods(
+  plugin: PluginContext,
+  mesh: Mesh,
+  colour: string,
+): Promise<Representation.Any> {
+  const value = Color.fromHexStyle(colour);
+  const representation = shapeRepresentation(
+    (_ctx, data: Mesh) =>
+      Shape.create(
+        'orbital axes',
+        {},
+        data,
+        () => value,
+        () => 1,
+        () => 'axis',
+      ),
+    Mesh.Utils,
+  );
+  await plugin.runTask(
+    // Unlit: a shaded rod reads as a cylinder in front of the surface, while a
+    // flat one reads as the axis line a textbook draws.
+    representation.createOrUpdate({ alpha: 1, ignoreLight: true }, mesh),
+  );
+  representation.setState({ pickable: false });
+  return representation;
+}
+
+/**
+ * The labels, as a representation the canvas can hold.
+ * @param plugin - The molstar context.
+ * @param text - The label geometry.
+ * @param colour - Label colour, as `#rrggbb`.
+ * @param size - Label height, in scene units.
+ * @returns The representation.
+ */
+async function createLabels(
+  plugin: PluginContext,
+  text: Text,
+  colour: string,
+  size: number,
+): Promise<Representation.Any> {
+  const value = Color.fromHexStyle(colour);
+  const representation = shapeRepresentation(
+    (_ctx, data: Text) =>
+      Shape.create(
+        'orbital axis labels',
+        {},
+        data,
+        () => value,
+        () => 1,
+        () => 'axis label',
+      ),
+    Text.Utils,
+  );
+  await plugin.runTask(
+    representation.createOrUpdate(
+      {
+        sizeFactor: size,
+        background: false,
+        attachment: 'middle-center',
+        fontWeight: 'bold',
+      },
+      text,
+    ),
+  );
+  representation.setState({ pickable: false });
+  return representation;
+}
+
+/** One frame per plugin, outside the state tree like the isosurfaces. */
+const representations = new WeakMap<PluginContext, Representation.Any[]>();

package/src/orbital/ui/viewer.ts

@@ -22,7 +22,14 @@ import { Color } from 'molstar/lib/mol-util/color/color.js';
 import type { OrbitalGrid } from '../core/grid.ts';
 import type { OrbitalContour } from '../core/isovalue.ts';
 
-import { DEFAULT_CAMERA_DURATION, frameOrbital, setSpin } from './camera.ts';
+import {
+  DEFAULT_CAMERA_DURATION,
+  DEFAULT_SPIN_SPEED,
+  frameOrbital,
+  setSpin,
+} from './camera.ts';
+import type { AxesStyle } from './renderAxes.ts';
+import { clearOrbitalAxes, renderOrbitalAxes } from './renderAxes.ts';
 import type { VolumeStyle } from './renderVolume.ts';
 import { clearSampledVolume, renderSampledVolume } from './renderVolume.ts';
 
@@ -105,6 +112,29 @@ export class OrbitalViewer {
     );
   }
 
+  /**
+   * Draw the labelled x, y, z frame through the origin, replacing any previous
+   * one.
+   * @param reach - How far the orbital reaches, in scene units, as
+   * `showOrbital` returned it.
+   * @param style - See {@link AxesStyle}.
+   * @returns How far the frame reaches, labels included, for the camera to
+   * frame; `undefined` once the viewer has been disposed.
+   */
+  showAxes(reach: number, style?: AxesStyle): Promise<number | undefined> {
+    return this.#run((plugin) => renderOrbitalAxes(plugin, reach, style));
+  }
+
+  /**
+   * Remove the frame.
+   * @returns Nothing, once the axes are gone.
+   */
+  hideAxes(): Promise<void> {
+    return this.#run((plugin) => {
+      clearOrbitalAxes(plugin);
+    });
+  }
+
   /**
    * Remove the isosurface pair.
    * @returns Nothing, once the surfaces are gone.
@@ -138,7 +168,7 @@ export class OrbitalViewer {
    * @param speed - molstar's own spin unit.
    * @returns Nothing, once the spin has been switched.
    */
-  setSpin(spinning: boolean, speed = 1): Promise<void> {
+  setSpin(spinning: boolean, speed = DEFAULT_SPIN_SPEED): Promise<void> {
     return this.#run((plugin) => {
       setSpin(plugin, spinning, speed);
     });