react-cheminfo 0.13.0 → 0.15.0

package/lib/molecule3d/ui/camera.js

@@ -20,6 +20,9 @@ const FRAMING_MARGIN = 0.08;
 const SPIN_AXIS = Vec3.create(0, 1, 0);
 /** Smallest radius framed, in ångström, so a single atom is not a close-up. */
 const MIN_FRAMING_RADIUS = 0.5;
+/** Screen up and viewing direction when the model is seen as its file lays it. */
+const FRONT_UP = Vec3.create(0, 1, 0);
+const FRONT_DIRECTION = Vec3.create(0, 0, -1);
 /**
  * Frame everything currently in the scene.
  *
@@ -30,13 +33,18 @@ const MIN_FRAMING_RADIUS = 0.5;
  * after that commit.
  * @param plugin - The molstar context.
  * @param durationMilliseconds - Transition length. Pass 0 for an instant jump.
+ * @param fromFront - Look down -z with y up, instead of keeping the current
+ * direction.
  */
-export function resetCamera(plugin, durationMilliseconds = DEFAULT_CAMERA_DURATION) {
+export function resetCamera(plugin, durationMilliseconds = DEFAULT_CAMERA_DURATION, fromFront = false) {
     plugin.canvas3d?.requestCameraReset({
         durationMs: durationMilliseconds,
         snapshot: (scene, camera) => {
             const { center, radius } = scene.boundingSphereVisible;
-            return camera.getFocus(center, Math.max(radius * (1 + FRAMING_MARGIN), MIN_FRAMING_RADIUS));
+            const framed = Math.max(radius * (1 + FRAMING_MARGIN), MIN_FRAMING_RADIUS);
+            return fromFront
+                ? camera.getFocus(center, framed, FRONT_UP, FRONT_DIRECTION)
+                : camera.getFocus(center, framed);
         },
     });
 }

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

@@ -1 +1 @@
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+{"version":3,"file":"camera.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/camera.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAEH,OAAO,EAAE,IAAI,EAAE,MAAM,wCAAwC,CAAC;AAG9D,8EAA8E;AAC9E,MAAM,CAAC,MAAM,uBAAuB,GAAG,GAAG,CAAC;AAE3C,gFAAgF;AAChF,MAAM,CAAC,MAAM,kBAAkB,GAAG,CAAC,GAAG,CAAC,CAAC;AAExC;;;;;;;GAOG;AACH,MAAM,cAAc,GAAG,IAAI,CAAC;AAE5B,sDAAsD;AACtD,MAAM,SAAS,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;AAEvC,+EAA+E;AAC/E,MAAM,kBAAkB,GAAG,GAAG,CAAC;AAE/B,kFAAkF;AAClF,MAAM,QAAQ,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;AACtC,MAAM,eAAe,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;AAE9C;;;;;;;;;;;;GAYG;AACH,MAAM,UAAU,WAAW,CACzB,MAAqB,EACrB,oBAAoB,GAAG,uBAAuB,EAC9C,SAAS,GAAG,KAAK;IAEjB,MAAM,CAAC,QAAQ,EAAE,kBAAkB,CAAC;QAClC,UAAU,EAAE,oBAAoB;QAChC,QAAQ,EAAE,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE;YAC1B,MAAM,EAAE,MAAM,EAAE,MAAM,EAAE,GAAG,KAAK,CAAC,qBAAqB,CAAC;YACvD,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CACrB,MAAM,GAAG,CAAC,CAAC,GAAG,cAAc,CAAC,EAC7B,kBAAkB,CACnB,CAAC;YACF,OAAO,SAAS;gBACd,CAAC,CAAC,MAAM,CAAC,QAAQ,CAAC,MAAM,EAAE,MAAM,EAAE,QAAQ,EAAE,eAAe,CAAC;gBAC5D,CAAC,CAAC,MAAM,CAAC,QAAQ,CAAC,MAAM,EAAE,MAAM,CAAC,CAAC;QACtC,CAAC;KACF,CAAC,CAAC;AACL,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,OAAO,CACrB,MAAqB,EACrB,QAAiB,EACjB,KAAK,GAAG,kBAAkB;IAE1B,MAAM,CAAC,QAAQ,EAAE,QAAQ,CAAC;QACxB,SAAS,EAAE;YACT,OAAO,EAAE,QAAQ;gBACf,CAAC,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,MAAM,EAAE,EAAE,KAAK,EAAE,IAAI,EAAE,SAAS,EAAE,EAAE;gBACtD,CAAC,CAAC,EAAE,IAAI,EAAE,KAAK,EAAE,MAAM,EAAE,EAAE,EAAE;SAChC;KACF,CAAC,CAAC;AACL,CAAC"}

package/lib/molecule3d/ui/drawScene.d.ts

@@ -8,8 +8,10 @@ import type { Molecule3DViewer } from './viewer.ts';
  * @param molfile - What to draw, or `null` to empty the scene.
  * @param settings - How to draw it.
  * @param measurements - What to draw over it.
- * @param frameCamera - Whether to frame the camera once everything is there.
+ * @param frameCamera - How to frame the camera once everything is there:
+ * `keep` glides to it along the current direction, `front` jumps to it looking
+ * down -z, `none` leaves the camera alone.
  * @returns Nothing; resolves once the scene is complete.
  */
-export declare function drawScene(viewer: Molecule3DViewer, molfile: Molecule3DFile | null, settings: Molecule3DSettings, measurements: readonly Measurement[], frameCamera: boolean): Promise<void>;
+export declare function drawScene(viewer: Molecule3DViewer, molfile: Molecule3DFile | null, settings: Molecule3DSettings, measurements: readonly Measurement[], frameCamera: 'none' | 'keep' | 'front'): Promise<void>;
 //# sourceMappingURL=drawScene.d.ts.map

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

@@ -1 +1 @@
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+{"version":3,"file":"drawScene.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EAAE,cAAc,EAAE,kBAAkB,EAAE,MAAM,qBAAqB,CAAC;AAG9E,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,aAAa,CAAC;AAEpD;;;;;;;;;;;GAWG;AACH,wBAAsB,SAAS,CAC7B,MAAM,EAAE,gBAAgB,EACxB,OAAO,EAAE,cAAc,GAAG,IAAI,EAC9B,QAAQ,EAAE,kBAAkB,EAC5B,YAAY,EAAE,SAAS,WAAW,EAAE,EACpC,WAAW,EAAE,MAAM,GAAG,MAAM,GAAG,OAAO,GACrC,OAAO,CAAC,IAAI,CAAC,CAqBf"}

package/lib/molecule3d/ui/drawScene.js

@@ -6,7 +6,9 @@ import { normalizeMolecule3DSettings } from "../core/settings.js";
  * @param molfile - What to draw, or `null` to empty the scene.
  * @param settings - How to draw it.
  * @param measurements - What to draw over it.
- * @param frameCamera - Whether to frame the camera once everything is there.
+ * @param frameCamera - How to frame the camera once everything is there:
+ * `keep` glides to it along the current direction, `front` jumps to it looking
+ * down -z, `none` leaves the camera alone.
  * @returns Nothing; resolves once the scene is complete.
  */
 export async function drawScene(viewer, molfile, settings, measurements, frameCamera) {
@@ -28,7 +30,9 @@ export async function drawScene(viewer, molfile, settings, measurements, frameCa
         });
     }
     await viewer.showMeasurements(measurements);
-    if (frameCamera)
+    if (frameCamera === 'keep')
         await viewer.resetCamera();
+    if (frameCamera === 'front')
+        await viewer.resetCamera(0, true);
 }
 //# sourceMappingURL=drawScene.js.map

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

@@ -1 +1 @@
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+{"version":3,"file":"drawScene.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,2BAA2B,EAAE,MAAM,qBAAqB,CAAC;AAIlE;;;;;;;;;;;GAWG;AACH,MAAM,CAAC,KAAK,UAAU,SAAS,CAC7B,MAAwB,EACxB,OAA8B,EAC9B,QAA4B,EAC5B,YAAoC,EACpC,WAAsC;IAEtC,IAAI,OAAO,KAAK,IAAI,EAAE,CAAC;QACrB,MAAM,MAAM,CAAC,YAAY,EAAE,CAAC;QAC5B,OAAO;IACT,CAAC;IACD,MAAM,IAAI,GAAG,2BAA2B,CAAC,QAAQ,CAAC,CAAC;IACnD,MAAM,MAAM,CAAC,YAAY,CAAC,OAAO,EAAE;QACjC,cAAc,EAAE,IAAI,CAAC,cAAc;QACnC,UAAU,EAAE,IAAI,CAAC,UAAU;KAC5B,CAAC,CAAC;IACH,IAAI,IAAI,CAAC,WAAW,EAAE,CAAC;QACrB,MAAM,MAAM,CAAC,WAAW,CAAC;YACvB,KAAK,EAAE,IAAI,CAAC,YAAY;YACxB,WAAW,EAAE,IAAI,CAAC,WAAW;YAC7B,QAAQ,EAAE,IAAI,CAAC,eAAe;YAC9B,KAAK,EAAE,IAAI,CAAC,YAAY;SACzB,CAAC,CAAC;IACL,CAAC;IACD,MAAM,MAAM,CAAC,gBAAgB,CAAC,YAAY,CAAC,CAAC;IAC5C,IAAI,WAAW,KAAK,MAAM;QAAE,MAAM,MAAM,CAAC,WAAW,EAAE,CAAC;IACvD,IAAI,WAAW,KAAK,OAAO;QAAE,MAAM,MAAM,CAAC,WAAW,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC;AACjE,CAAC"}

package/lib/molecule3d/ui/moleculeViewer3DProps.d.ts

@@ -12,6 +12,14 @@ import type { Molecule3DFile, Molecule3DSettings, Molecule3DTools } from '../cor
 export interface MoleculeViewer3DProps {
     /** The molecule to draw, with 3D coordinates, or `null` for none. */
     molfile: Molecule3DFile | null;
+    /**
+     * How the camera meets a new molecule. `keep` glides to it along the current
+     * direction, which suits conformers of one molecule; `front` jumps to it
+     * looking down -z with y up, so unrelated molecules, each laid out in its
+     * file the way it reads best, never swing in from the previous view.
+     * @default 'keep'
+     */
+    frameNewMolecule?: 'keep' | 'front';
     /**
      * Which buttons the toolbar over the canvas shows; tools not named stay on.
      * @default every tool

package/lib/molecule3d/ui/moleculeViewer3DProps.d.ts.map

@@ -1 +1 @@
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package/lib/molecule3d/ui/viewer.d.ts

@@ -81,9 +81,10 @@ export declare class Molecule3DViewer {
     /**
      * Frame everything on screen.
      * @param durationMilliseconds - Transition length; 0 jumps.
+     * @param fromFront - Look down -z with y up instead of keeping the direction.
      * @returns Nothing; resolves once the move has been ordered.
      */
-    resetCamera(durationMilliseconds?: number): Promise<void>;
+    resetCamera(durationMilliseconds?: number, fromFront?: boolean): Promise<void>;
     /**
      * Turn the automatic spin on or off.
      * @param spinning - Whether the scene should keep turning.

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

@@ -1 +1 @@
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+{"version":3,"file":"viewer.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/viewer.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;GAUG;AAQH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,wBAAwB,CAAC;AACxD,OAAO,KAAK,EAAE,WAAW,EAAE,eAAe,EAAE,MAAM,wBAAwB,CAAC;AAC3E,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AAe1D,OAAO,KAAK,EACV,uBAAuB,EACvB,aAAa,EACb,YAAY,EACb,MAAM,kBAAkB,CAAC;AAE1B;;;;;GAKG;AACH,wBAAgB,sBAAsB,CACpC,SAAS,EAAE,WAAW,EACtB,OAAO,GAAE,uBAA4B,GACpC,gBAAgB,CAElB;AAED;;;GAGG;AACH,qBAAa,gBAAgB;;IAK3B,0EAA0E;IAC1E,QAAQ,CAAC,KAAK,EAAE,OAAO,CAAC,IAAI,CAAC,CAAC;IAE9B;;;;OAIG;gBACS,SAAS,EAAE,WAAW,EAAE,OAAO,GAAE,uBAA4B;IAyBzE;;;;;;OAMG;IACH,YAAY,CAAC,OAAO,EAAE,cAAc,EAAE,KAAK,CAAC,EAAE,aAAa,GAAG,OAAO,CAAC,IAAI,CAAC;IAO3E;;;OAGG;IACH,YAAY,IAAI,OAAO,CAAC,IAAI,CAAC;IAO7B;;;;OAIG;IACH,WAAW,CAAC,KAAK,CAAC,EAAE,YAAY,GAAG,OAAO,CAAC,IAAI,CAAC;IAIhD;;;OAGG;IACH,WAAW,IAAI,OAAO,CAAC,IAAI,CAAC;IAI5B;;;;OAIG;IACH,gBAAgB,CAAC,YAAY,EAAE,SAAS,WAAW,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAIrE;;;;OAIG;IACH,cAAc,CAAC,IAAI,EAAE,eAAe,GAAG,IAAI,GAAG,OAAO,CAAC,IAAI,CAAC;IAM3D;;;;;;OAMG;IACH,YAAY,CAAC,IAAI,EAAE,SAAS,GAAG,OAAO,CAAC,MAAM,GAAG,SAAS,CAAC;IAgB1D;;;;;OAKG;IACH,WAAW,CACT,oBAAoB,SAA0B,EAC9C,SAAS,UAAQ,GAChB,OAAO,CAAC,IAAI,CAAC;IAMhB;;;;;OAKG;IACH,OAAO,CAAC,QAAQ,EAAE,OAAO,EAAE,KAAK,SAAqB,GAAG,OAAO,CAAC,IAAI,CAAC;IAMrE,kEAAkE;IAClE,YAAY,IAAI,IAAI;IAKpB,sEAAsE;IACtE,OAAO,IAAI,IAAI;CAwBhB"}

package/lib/molecule3d/ui/viewer.js

@@ -145,11 +145,12 @@ export class Molecule3DViewer {
     /**
      * Frame everything on screen.
      * @param durationMilliseconds - Transition length; 0 jumps.
+     * @param fromFront - Look down -z with y up instead of keeping the direction.
      * @returns Nothing; resolves once the move has been ordered.
      */
-    resetCamera(durationMilliseconds = DEFAULT_CAMERA_DURATION) {
+    resetCamera(durationMilliseconds = DEFAULT_CAMERA_DURATION, fromFront = false) {
         return this.#run((plugin) => {
-            resetCamera(plugin, durationMilliseconds);
+            resetCamera(plugin, durationMilliseconds, fromFront);
         });
     }
     /**

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

@@ -1 +1 @@
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+{"version":3,"file":"viewer.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/viewer.ts"],"names":[],"mappings":"AAAA;;;;;;;;;;GAUG;AAEH,OAAO,EAAE,eAAe,EAAE,MAAM,6CAA6C,CAAC;AAE9E,4DAA4D;AAC5D,OAAO,EAAE,iBAAiB,IAAI,iBAAiB,EAAE,MAAM,gCAAgC,CAAC;AACxF,OAAO,EAAE,KAAK,EAAE,MAAM,qCAAqC,CAAC;AAM5D,OAAO,EACL,uBAAuB,EACvB,kBAAkB,EAClB,WAAW,EACX,OAAO,GACR,MAAM,aAAa,CAAC;AACrB,OAAO,EACL,iBAAiB,EACjB,iBAAiB,EACjB,kBAAkB,GACnB,MAAM,mBAAmB,CAAC;AAC3B,OAAO,EAAE,aAAa,EAAE,cAAc,EAAE,MAAM,qBAAqB,CAAC;AACpE,OAAO,EAAE,YAAY,EAAE,aAAa,EAAE,MAAM,oBAAoB,CAAC;AAOjE;;;;;GAKG;AACH,MAAM,UAAU,sBAAsB,CACpC,SAAsB,EACtB,UAAmC,EAAE;IAErC,OAAO,IAAI,gBAAgB,CAAC,SAAS,EAAE,OAAO,CAAC,CAAC;AAClD,CAAC;AAED;;;GAGG;AACH,MAAM,OAAO,gBAAgB;IAClB,MAAM,CAAkB;IACjC,OAAO,CAAgC;IACvC,SAAS,GAAG,KAAK,CAAC;IAElB,0EAA0E;IACjE,KAAK,CAAgB;IAE9B;;;;OAIG;IACH,YAAY,SAAsB,EAAE,UAAmC,EAAE;QACvE,MAAM,EACJ,UAAU,GAAG,SAAS,EAAE,kCAAkC;QAC1D,SAAS,GAAG,MAAM,GACnB,GAAG,OAAO,CAAC;QACZ,MAAM,IAAI,GAAG,iBAAiB,EAAE,CAAC;QACjC,IAAI,CAAC,MAAM,GAAG,IAAI,eAAe,CAAC;YAChC,IAAI,EAAE;gBACJ,GAAG,IAAI;gBACP,QAAQ,EAAE;oBACR,GAAG,IAAI,CAAC,QAAQ;oBAChB,QAAQ,EAAE,EAAE,eAAe,EAAE,KAAK,CAAC,YAAY,CAAC,UAAU,CAAC,EAAE;oBAC7D,MAAM,EAAE,EAAE,MAAM,EAAE,EAAE,IAAI,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE;iBAC1D;aACF;SACF,CAAC,CAAC;QACH,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC;QAC7B,IAAI,CAAC,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,WAAW,CAAC;QACrC,2EAA2E;QAC3E,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,GAAG,EAAE;YACnB,IAAI,IAAI,CAAC,SAAS;gBAAE,OAAO;YAC3B,IAAI,CAAC,OAAO,GAAG,IAAI,iBAAiB,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,EAAE,SAAS,CAAC,CAAC;QACtE,CAAC,EAAE,MAAM,CAAC,CAAC;IACb,CAAC;IAED;;;;;;OAMG;IACH,YAAY,CAAC,OAAuB,EAAE,KAAqB;QACzD,OAAO,IAAI,CAAC,IAAI,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE;YAChC,MAAM,iBAAiB,CAAC,MAAM,CAAC,CAAC;YAChC,MAAM,cAAc,CAAC,MAAM,EAAE,OAAO,EAAE,KAAK,CAAC,CAAC;QAC/C,CAAC,CAAC,CAAC;IACL,CAAC;IAED;;;OAGG;IACH,YAAY;QACV,OAAO,IAAI,CAAC,IAAI,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE;YAChC,MAAM,iBAAiB,CAAC,MAAM,CAAC,CAAC;YAChC,MAAM,aAAa,CAAC,MAAM,CAAC,CAAC;QAC9B,CAAC,CAAC,CAAC;IACL,CAAC;IAED;;;;OAIG;IACH,WAAW,CAAC,KAAoB;QAC9B,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,aAAa,CAAC,MAAM,EAAE,KAAK,CAAC,CAAC,CAAC;IAC7D,CAAC;IAED;;;OAGG;IACH,WAAW;QACT,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,YAAY,CAAC,MAAM,CAAC,CAAC,CAAC;IACrD,CAAC;IAED;;;;OAIG;IACH,gBAAgB,CAAC,YAAoC;QACnD,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,kBAAkB,CAAC,MAAM,EAAE,YAAY,CAAC,CAAC,CAAC;IACzE,CAAC;IAED;;;;OAIG;IACH,cAAc,CAAC,IAA4B;QACzC,OAAO,IAAI,CAAC,IAAI,CAAC,GAAG,EAAE;YACpB,IAAI,CAAC,OAAO,EAAE,OAAO,CAAC,IAAI,CAAC,CAAC;QAC9B,CAAC,CAAC,CAAC;IACL,CAAC;IAED;;;;;;OAMG;IACH,YAAY,CAAC,IAAe;QAC1B,OAAO,IAAI,CAAC,IAAI,CAAC,KAAK,EAAE,MAAM,EAAE,EAAE;YAChC,MAAM,MAAM,GAAG,MAAM,CAAC,OAAO,CAAC,kBAAkB,CAAC;YACjD,IAAI,MAAM,KAAK,SAAS,EAAE,CAAC;gBACzB,MAAM,IAAI,KAAK,CAAC,iDAAiD,CAAC,CAAC;YACrE,CAAC;YACD,MAAM,CAAC,SAAS,CAAC,MAAM,CAAC,IAAI,CAAC;gBAC3B,GAAG,MAAM,CAAC,MAAM;gBAChB,UAAU,EAAE,EAAE,IAAI,EAAE,QAAQ,EAAE,MAAM,EAAE,IAAI,EAAE;gBAC5C,IAAI,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,MAAM,EAAE,EAAE,EAAE;gBACjC,WAAW,EAAE,KAAK;aACnB,CAAC,CAAC;YACH,OAAO,MAAM,CAAC,eAAe,EAAE,CAAC;QAClC,CAAC,CAAC,CAAC;IACL,CAAC;IAED;;;;;OAKG;IACH,WAAW,CACT,oBAAoB,GAAG,uBAAuB,EAC9C,SAAS,GAAG,KAAK;QAEjB,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE;YAC1B,WAAW,CAAC,MAAM,EAAE,oBAAoB,EAAE,SAAS,CAAC,CAAC;QACvD,CAAC,CAAC,CAAC;IACL,CAAC;IAED;;;;;OAKG;IACH,OAAO,CAAC,QAAiB,EAAE,KAAK,GAAG,kBAAkB;QACnD,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE;YAC1B,OAAO,CAAC,MAAM,EAAE,QAAQ,EAAE,KAAK,CAAC,CAAC;QACnC,CAAC,CAAC,CAAC;IACL,CAAC;IAED,kEAAkE;IAClE,YAAY;QACV,IAAI,IAAI,CAAC,SAAS;YAAE,OAAO;QAC3B,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,YAAY,EAAE,CAAC;IACpC,CAAC;IAED,sEAAsE;IACtE,OAAO;QACL,IAAI,IAAI,CAAC,SAAS;YAAE,OAAO;QAC3B,IAAI,CAAC,SAAS,GAAG,IAAI,CAAC;QACtB,IAAI,CAAC,OAAO,EAAE,OAAO,EAAE,CAAC;QACxB,KAAK,IAAI,CAAC,KAAK;aACZ,KAAK,CAAC,GAAG,EAAE,CAAC,SAAS,CAAC;aACtB,IAAI,CAAC,GAAG,EAAE;YACT,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,CAAC;QAC/B,CAAC,CAAC,CAAC;IACP,CAAC;IAED,KAAK,CAAC,IAAI,CACR,MAA2D;QAE3D,IAAI,IAAI,CAAC,SAAS;YAAE,OAAO,SAAS,CAAC;QACrC,MAAM,IAAI,CAAC,KAAK,CAAC;QACjB,IAAI,IAAI,CAAC,SAAS;YAAE,OAAO,SAAS,CAAC;QACrC,IAAI,CAAC;YACH,OAAO,MAAM,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC;QAC1C,CAAC;QAAC,OAAO,KAAK,EAAE,CAAC;YACf,IAAI,IAAI,CAAC,SAAS;gBAAE,OAAO,SAAS,CAAC;YACrC,MAAM,KAAK,CAAC;QACd,CAAC;IACH,CAAC;CACF;AAED,SAAS,MAAM;IACb,iBAAiB;AACnB,CAAC"}

package/lib/vite.d.ts

@@ -1,3 +1,4 @@
+export * from './build/vite/index.ts';
 export * from './seo/vite/index.ts';
 export * from './slides/vite/index.ts';
 //# sourceMappingURL=vite.d.ts.map

package/lib/vite.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"vite.d.ts","sourceRoot":"","sources":["../src/vite.ts"],"names":[],"mappings":"AAAA,cAAc,qBAAqB,CAAC;AACpC,cAAc,wBAAwB,CAAC"}
+{"version":3,"file":"vite.d.ts","sourceRoot":"","sources":["../src/vite.ts"],"names":[],"mappings":"AAAA,cAAc,uBAAuB,CAAC;AACtC,cAAc,qBAAqB,CAAC;AACpC,cAAc,wBAAwB,CAAC"}

package/lib/vite.js

@@ -1,3 +1,4 @@
+export * from "./build/vite/index.js";
 export * from "./seo/vite/index.js";
 export * from "./slides/vite/index.js";
 //# sourceMappingURL=vite.js.map

package/lib/vite.js.map

@@ -1 +1 @@
-{"version":3,"file":"vite.js","sourceRoot":"","sources":["../src/vite.ts"],"names":[],"mappings":"AAAA,cAAc,qBAAqB,CAAC;AACpC,cAAc,wBAAwB,CAAC"}
+{"version":3,"file":"vite.js","sourceRoot":"","sources":["../src/vite.ts"],"names":[],"mappings":"AAAA,cAAc,uBAAuB,CAAC;AACtC,cAAc,qBAAqB,CAAC;AACpC,cAAc,wBAAwB,CAAC"}

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "react-cheminfo",
-  "version": "0.13.0",
+  "version": "0.15.0",
   "license": "MIT",
   "description": "React components, hooks and framework-free helpers shared by the cheminfo sites: site chrome, citations, sharing, routing, pedagogy, charts, and the structure, orbital and 3D molecule viewers",
   "author": "Luc Patiny",
@@ -15,6 +15,7 @@
     "./styles/*.css"
   ],
   "exports": {
+    "./build-info": "./lib/build-info.js",
     "./core": "./lib/core.js",
     "./molecule3d": "./lib/molecule3d.js",
     "./orbital": "./lib/orbital.js",

package/src/about/core/about.ts

@@ -1,3 +1,4 @@
+import type { BuildInfo } from '../../build/core/buildInfo.ts';
 import type { CitedWork } from '../../citation/core/works.ts';
 import type { CreditEntry, CreditId } from '../../credits/core/credits.ts';
 import { credits } from '../../credits/core/credits.ts';
@@ -17,8 +18,12 @@ import { providers } from './providers.ts';
  * each crediting a different half of what it runs on.
  */
 export interface AboutContent {
-  /** The site the page belongs to. */
-  siteId: SiteId;
+  /**
+   * The site the page belongs to: its id, or the record itself for a site that
+   * is deliberately not listed in the family's Tools menu and therefore not in
+   * `ECOSYSTEM_SITES`.
+   */
+  siteId: SiteId | EcosystemSite;
   /** One sentence: what this tool is. */
   what: string;
   /**
@@ -59,10 +64,11 @@ export interface AboutContent {
    */
   repository?: string;
   /**
-   * The running version, when the site knows it.
-   * @default undefined
+   * Which build is running, from `virtual:cheminfo-build-info` — never written
+   * by hand, which is what keeps it true after the next release.
+   * @default undefined — the site's build does not publish one
    */
-  version?: string;
+  build?: BuildInfo;
   /**
    * Where a problem is reported.
    * @default the repository's /issues
@@ -102,8 +108,8 @@ export interface ResolvedAbout {
   providedBy: ProviderEntry[];
   license: string;
   repository: string;
-  /** The running version, or `undefined` when the site does not know it. */
-  version: string | undefined;
+  /** Which build is running, or `undefined` when the site does not say. */
+  build: BuildInfo | undefined;
   issues: string;
 }
 
@@ -116,7 +122,10 @@ export interface ResolvedAbout {
  *   credits nobody.
  */
 export function resolveAbout(content: AboutContent): ResolvedAbout {
-  const site = siteById(content.siteId);
+  const site =
+    typeof content.siteId === 'string'
+      ? siteById(content.siteId)
+      : content.siteId;
   const repository = content.repository ?? site.repository;
 
   return {
@@ -130,7 +139,7 @@ export function resolveAbout(content: AboutContent): ResolvedAbout {
     providedBy: providers(content.providedBy ?? []),
     license: content.license ?? DEFAULT_LICENSE,
     repository,
-    version: content.version,
+    build: content.build,
     issues: content.issues ?? `${withoutTrailingSlash(repository)}/issues`,
   };
 }

package/src/about/ui/AboutBuild.tsx

@@ -0,0 +1,83 @@
+import type { CSSProperties, ReactElement, ReactNode } from 'react';
+
+import type { BuildInfo } from '../../build/core/buildInfo.ts';
+import { formatBuiltAt, shortCommit } from '../../build/core/buildInfo.ts';
+
+export interface AboutBuildProps {
+  /** What the build published about itself. */
+  build: BuildInfo;
+  /** Where the sources live, which is what the version and commit link into. */
+  repository: string;
+}
+
+/**
+ * The one line that says which build of the site a visitor has open.
+ *
+ * A report of something going wrong is worth answering only when we know what
+ * was running, and a visitor cannot read that off the page otherwise. The
+ * version and the commit link into the repository, so the change that caused a
+ * problem is one click from the page that shows it.
+ * @param props - See {@link AboutBuildProps}.
+ * @returns The line.
+ */
+export function AboutBuild(props: AboutBuildProps): ReactElement {
+  const { build, repository } = props;
+  const sources = repository.endsWith('/')
+    ? repository.slice(0, -1)
+    : repository;
+  const onGitHub = sources.startsWith(GITHUB);
+
+  return (
+    <p style={PARAGRAPH_STYLE}>
+      Running version{' '}
+      <Reference
+        href={
+          onGitHub ? `${sources}/releases/tag/v${build.version}` : undefined
+        }
+      >
+        {build.version}
+      </Reference>
+      , built {formatBuiltAt(build.builtAt)}
+      {build.commit === undefined ? null : (
+        <>
+          {' from commit '}
+          <Reference
+            href={onGitHub ? `${sources}/commit/${build.commit}` : undefined}
+          >
+            {shortCommit(build.commit)}
+          </Reference>
+        </>
+      )}
+      .
+    </p>
+  );
+}
+
+function Reference(props: {
+  href: string | undefined;
+  children: ReactNode;
+}): ReactElement {
+  const { href, children } = props;
+  if (href === undefined) return <code style={CODE_STYLE}>{children}</code>;
+
+  return (
+    <a href={href} target="_blank" rel="noopener noreferrer" style={LINK_STYLE}>
+      <code style={CODE_STYLE}>{children}</code>
+    </a>
+  );
+}
+
+const GITHUB = 'https://github.com/';
+
+const PARAGRAPH_STYLE = {
+  margin: '8px 0 0',
+  color: 'var(--text-muted)',
+  fontSize: 13,
+} as const satisfies CSSProperties;
+
+const CODE_STYLE = {
+  fontFamily: 'var(--font-mono, ui-monospace, monospace)',
+  fontSize: 13,
+} as const satisfies CSSProperties;
+
+const LINK_STYLE = { color: 'var(--accent)' } as const satisfies CSSProperties;

package/src/about/ui/AboutPage.tsx

@@ -6,6 +6,7 @@ import { SiteMark } from '../../ecosystem/ui/marks.tsx';
 import type { AboutContent } from '../core/about.ts';
 import { resolveAbout } from '../core/about.ts';
 
+import { AboutBuild } from './AboutBuild.tsx';
 import { AboutCitations } from './AboutCitations.tsx';
 import { AboutProvidedBy } from './AboutProvidedBy.tsx';
 import { AboutSection } from './AboutSection.tsx';
@@ -25,6 +26,13 @@ export interface AboutPageProps {
    * @default undefined
    */
   children?: ReactNode;
+  /**
+   * The site's own mark, for a site the shared glyph set does not hold —
+   * one that is deliberately not listed in `ECOSYSTEM_SITES`. It stands where
+   * `SiteMark` would, and the hero is otherwise unchanged.
+   * @default undefined — the family's mark for that site
+   */
+  mark?: ReactNode;
   /**
    * The site's own drawn lockup, for a site that has one. It stands in the
    * hero in place of the mark and the written name, above the tagline, and
@@ -48,7 +56,7 @@ export interface AboutPageProps {
  * @throws {Error} When the record names a site or a credit that does not exist.
  */
 export function AboutPage(props: AboutPageProps): ReactElement {
-  const { content, className, children, logo } = props;
+  const { content, className, children, logo, mark } = props;
   const about = resolveAbout(content);
   const site = about.site;
 
@@ -63,10 +71,12 @@ export function AboutPage(props: AboutPageProps): ReactElement {
         className="about-hero"
         style={logo === undefined ? HERO_STYLE : LOGO_HERO_STYLE}
       >
-        {logo === undefined ? <SiteMark siteId={site.id} size={56} /> : null}
+        {logo === undefined
+          ? (mark ?? <SiteMark site={site} size={56} />)
+          : null}
         <div>
           <h1 style={logo === undefined ? NAME_STYLE : LOGO_NAME_STYLE}>
-            {logo ?? <Wordmark siteId={site.id} size={26} />}
+            {logo ?? <Wordmark site={site} size={26} />}
           </h1>
           <p style={TAGLINE_STYLE}>{site.tagline}</p>
           <p style={WHAT_STYLE}>{about.what}</p>
@@ -118,10 +128,8 @@ export function AboutPage(props: AboutPageProps): ReactElement {
           piece of it into something else. The sources are at{' '}
           <ExternalLink href={about.repository} />.
         </p>
-        {about.version === undefined ? null : (
-          <p style={PARAGRAPH_STYLE}>
-            This page is running version {about.version}.
-          </p>
+        {about.build === undefined ? null : (
+          <AboutBuild build={about.build} repository={about.repository} />
         )}
       </AboutSection>
 

package/src/about/ui/index.ts

@@ -1,3 +1,5 @@
+export type { AboutBuildProps } from './AboutBuild.tsx';
+export { AboutBuild } from './AboutBuild.tsx';
 export type { AboutCitationsProps } from './AboutCitations.tsx';
 export { AboutCitations } from './AboutCitations.tsx';
 export type { AboutPageProps } from './AboutPage.tsx';

package/src/build/core/buildInfo.ts

@@ -0,0 +1,48 @@
+/**
+ * What a deployed page can say about itself: which release it is, when it was
+ * built, and from which commit.
+ *
+ * A site of ours is a link somebody handed out in a course, so the first
+ * question a report raises is *which one of these is running*. The record is
+ * filled by the build rather than written by hand — a version a human types
+ * into a source file is a version that is wrong by the next release.
+ */
+export interface BuildInfo {
+  /** The released version, from the package.json at the repository root. */
+  version: string;
+  /** When the build ran, as an ISO instant to the second: `2026-09-16T09:41:07Z`. */
+  builtAt: string;
+  /**
+   * The full commit the build was made from.
+   * @default undefined — the build could not see the repository
+   */
+  commit?: string;
+  /**
+   * The version of `react-cheminfo` the site is built against, which is what
+   * says whether a site is running the current chrome.
+   * @default undefined — the build could not read it
+   */
+  reactCheminfo?: string;
+}
+
+/**
+ * The commit as it is written for a reader.
+ * @param commit - The full hash.
+ * @returns Its first seven characters, which is what git itself shows.
+ */
+export function shortCommit(commit: string): string {
+  return commit.slice(0, SHORT_COMMIT_LENGTH);
+}
+
+/**
+ * The build instant as it is read on the page.
+ * @param builtAt - The ISO instant the build wrote.
+ * @returns The day and the time, in UTC, e.g. `2026-09-16 09:41:07 UTC`.
+ */
+export function formatBuiltAt(builtAt: string): string {
+  const seconds = builtAt.slice(0, SECOND_LENGTH).replace('T', ' ');
+  return `${seconds} UTC`;
+}
+
+const SHORT_COMMIT_LENGTH = 7;
+const SECOND_LENGTH = 19;

package/src/build/core/current.ts

@@ -0,0 +1,12 @@
+import type { BuildInfo } from './buildInfo.ts';
+
+/**
+ * Which build of the site is running, or `undefined` when nothing filled it in.
+ *
+ * The module is replaced at build time by `cheminfoBuildInfo`, which is what
+ * puts the real version, instant and commit here. It stays a real module rather
+ * than a virtual one so that a test, a Playwright spec or a backend can import
+ * the About record in plain Node: outside a build there is simply no record,
+ * and the About page leaves the line out.
+ */
+export const BUILD_INFO: BuildInfo | undefined = undefined;

package/src/build/core/index.ts

@@ -0,0 +1,2 @@
+export type { BuildInfo } from './buildInfo.ts';
+export { formatBuiltAt, shortCommit } from './buildInfo.ts';