react-cheminfo 0.63.1 → 0.64.1

package/lib/molecule3d/core/highlight.d.ts

@@ -0,0 +1,53 @@
+/**
+ * What a highlight on a 3D molecule is, without React and without molstar: a
+ * bonded path of atoms a site points at — the two atoms of a bond, the three of
+ * an angle, the four of a dihedral — for the model to emphasise.
+ *
+ * Atoms are named by position, as measurements name them, so a row of a table
+ * read off one conformer lands on the same atoms of every other conformer of
+ * the same molecule.
+ */
+import type { AtomReference } from './measurement.ts';
+/** One bonded path of atoms to emphasise on the model. */
+export interface Molecule3DHighlight {
+    /**
+     * The atoms in the order they are bonded: two for a bond, three for the two
+     * bonds of an angle, four for the three bonds of a dihedral. One atom
+     * emphasises that atom alone.
+     */
+    atoms: readonly AtomReference[];
+}
+/** Two consecutive atoms of a path: the bond a highlight emphasises. */
+export type HighlightedBond = readonly [AtomReference, AtomReference];
+/** Everything a list of highlights emphasises, each atom and bond once. */
+export interface HighlightedParts {
+    /** Every atom of every path, in the order the paths first name them. */
+    atoms: readonly AtomReference[];
+    /** Every pair of consecutive atoms, in the order the paths first name them. */
+    bonds: readonly HighlightedBond[];
+}
+/**
+ * The atoms and the bonds a list of highlights emphasises.
+ *
+ * A bond is a pair of consecutive atoms of one path, and nothing else: two
+ * atoms that are both highlighted, but by different paths or not next to each
+ * other in one, are not a bond of the highlight — so six C–H paths never
+ * emphasise the C–C bond between two of their carbons. An atom the structure
+ * lacks is left out, with the two pairs it stands in; the atoms on either side
+ * of it are not joined in its place.
+ * @param highlights - The paths, as a site passes them.
+ * @param hasAtom - Whether the structure on screen has an atom; asked only of
+ * references whose two numbers are whole and not negative.
+ * @default () => true
+ * @returns The atoms and the bonds, each once, in the order first named.
+ */
+export declare function highlightedParts(highlights: readonly Molecule3DHighlight[], hasAtom?: (atom: AtomReference) => boolean): HighlightedParts;
+/**
+ * Whether two lists of highlights name the same atoms, in the same paths and
+ * the same order — what decides that the model needs no repainting.
+ * @param first - One list.
+ * @param second - The other.
+ * @returns True when every path of one is the path of the other at its place.
+ */
+export declare function sameHighlights(first: readonly Molecule3DHighlight[], second: readonly Molecule3DHighlight[]): boolean;
+//# sourceMappingURL=highlight.d.ts.map

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

@@ -0,0 +1 @@
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package/lib/molecule3d/core/highlight.js

@@ -0,0 +1,96 @@
+/**
+ * What a highlight on a 3D molecule is, without React and without molstar: a
+ * bonded path of atoms a site points at — the two atoms of a bond, the three of
+ * an angle, the four of a dihedral — for the model to emphasise.
+ *
+ * Atoms are named by position, as measurements name them, so a row of a table
+ * read off one conformer lands on the same atoms of every other conformer of
+ * the same molecule.
+ */
+import { sameAtoms } from "./measurement.js";
+/**
+ * The atoms and the bonds a list of highlights emphasises.
+ *
+ * A bond is a pair of consecutive atoms of one path, and nothing else: two
+ * atoms that are both highlighted, but by different paths or not next to each
+ * other in one, are not a bond of the highlight — so six C–H paths never
+ * emphasise the C–C bond between two of their carbons. An atom the structure
+ * lacks is left out, with the two pairs it stands in; the atoms on either side
+ * of it are not joined in its place.
+ * @param highlights - The paths, as a site passes them.
+ * @param hasAtom - Whether the structure on screen has an atom; asked only of
+ * references whose two numbers are whole and not negative.
+ * @default () => true
+ * @returns The atoms and the bonds, each once, in the order first named.
+ */
+export function highlightedParts(highlights, hasAtom = isAnyAtom) {
+    const atoms = [];
+    const bonds = [];
+    const atomKeys = new Set();
+    const bondKeys = new Set();
+    for (const highlight of highlights) {
+        let previous;
+        for (const atom of highlight.atoms) {
+            const present = isAtomReference(atom) && hasAtom(atom);
+            if (present && !atomKeys.has(atomKey(atom))) {
+                atomKeys.add(atomKey(atom));
+                atoms.push({ unit: atom.unit, element: atom.element });
+            }
+            if (present && previous !== undefined) {
+                const key = bondKey(previous, atom);
+                if (key !== null && !bondKeys.has(key)) {
+                    bondKeys.add(key);
+                    bonds.push([
+                        { unit: previous.unit, element: previous.element },
+                        { unit: atom.unit, element: atom.element },
+                    ]);
+                }
+            }
+            previous = present ? atom : undefined;
+        }
+    }
+    return { atoms, bonds };
+}
+/**
+ * Whether two lists of highlights name the same atoms, in the same paths and
+ * the same order — what decides that the model needs no repainting.
+ * @param first - One list.
+ * @param second - The other.
+ * @returns True when every path of one is the path of the other at its place.
+ */
+export function sameHighlights(first, second) {
+    if (first === second)
+        return true;
+    if (first.length !== second.length)
+        return false;
+    for (let index = 0; index < first.length; index++) {
+        const one = first[index]?.atoms;
+        const other = second[index]?.atoms;
+        if (one === undefined || other === undefined)
+            return false;
+        if (!sameAtoms(one, other))
+            return false;
+    }
+    return true;
+}
+function isAnyAtom() {
+    return true;
+}
+function isAtomReference(atom) {
+    return (Number.isInteger(atom.unit) &&
+        atom.unit >= 0 &&
+        Number.isInteger(atom.element) &&
+        atom.element >= 0);
+}
+function atomKey(atom) {
+    return `${atom.unit}:${atom.element}`;
+}
+// One key for a pair whichever way round, and none for an atom with itself.
+function bondKey(first, second) {
+    const one = atomKey(first);
+    const other = atomKey(second);
+    if (one === other)
+        return null;
+    return one < other ? `${one}-${other}` : `${other}-${one}`;
+}
+//# sourceMappingURL=highlight.js.map

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

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

@@ -4,8 +4,10 @@ export type { ImageSize } from './exportImage.ts';
 export { dataUriBytes, rasterSvgMarkup } from './exportImage.ts';
 export type { Molecule3DGesture, Molecule3DGestureKey } from './gestures.ts';
 export { MOLECULE_3D_GESTURES } from './gestures.ts';
+export type { HighlightedBond, HighlightedParts, Molecule3DHighlight, } from './highlight.ts';
+export { highlightedParts, sameHighlights } from './highlight.ts';
 export type { AtomReference, Measurement, MeasurementKind, } from './measurement.ts';
-export { MEASUREMENT_ATOM_COUNTS, MEASUREMENT_KINDS, MEASUREMENT_LABELS, } from './measurement.ts';
+export { MEASUREMENT_ATOM_COUNTS, MEASUREMENT_KINDS, MEASUREMENT_LABELS, sameMeasurements, } from './measurement.ts';
 export type { Molecule3DFile, Molecule3DSettings, Molecule3DTools, RepresentationId, SurfaceColoringId, } from './settings.ts';
 export { DEFAULT_MOLECULE_3D_SETTINGS, DEFAULT_MOLECULE_3D_TOOLS, MOLECULE_3D_RANGES, REPRESENTATIONS, REPRESENTATION_LABELS, SURFACE_CHARGE_COLORS, SURFACE_COLORINGS, SURFACE_COLORING_LABELS, isRepresentationId, isSurfaceColoringId, normalizeMolecule3DSettings, resetMolecule3DSettings, resolveMolecule3DTools, sameMolecule3DSettings, } from './settings.ts';
 //# sourceMappingURL=index.d.ts.map

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

@@ -1 +1 @@
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+{"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,eAAe,EACf,gBAAgB,EAChB,mBAAmB,GACpB,MAAM,gBAAgB,CAAC;AACxB,OAAO,EAAE,gBAAgB,EAAE,cAAc,EAAE,MAAM,gBAAgB,CAAC;AAClE,YAAY,EACV,aAAa,EACb,WAAW,EACX,eAAe,GAChB,MAAM,kBAAkB,CAAC;AAC1B,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,EAClB,gBAAgB,GACjB,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,uBAAuB,EACvB,sBAAsB,EACtB,sBAAsB,GACvB,MAAM,eAAe,CAAC"}

package/lib/molecule3d/core/index.js

@@ -1,6 +1,7 @@
 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";
+export { highlightedParts, sameHighlights } from "./highlight.js";
+export { MEASUREMENT_ATOM_COUNTS, MEASUREMENT_KINDS, MEASUREMENT_LABELS, sameMeasurements, } from "./measurement.js";
 export { DEFAULT_MOLECULE_3D_SETTINGS, DEFAULT_MOLECULE_3D_TOOLS, MOLECULE_3D_RANGES, REPRESENTATIONS, REPRESENTATION_LABELS, SURFACE_CHARGE_COLORS, SURFACE_COLORINGS, SURFACE_COLORING_LABELS, isRepresentationId, isSurfaceColoringId, normalizeMolecule3DSettings, resetMolecule3DSettings, resolveMolecule3DTools, sameMolecule3DSettings, } from "./settings.js";
 //# sourceMappingURL=index.js.map

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

@@ -1 +1 @@
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+{"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,EAAE,gBAAgB,EAAE,cAAc,EAAE,MAAM,gBAAgB,CAAC;AAMlE,OAAO,EACL,uBAAuB,EACvB,iBAAiB,EACjB,kBAAkB,EAClB,gBAAgB,GACjB,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,uBAAuB,EACvB,sBAAsB,EACtB,sBAAsB,GACvB,MAAM,eAAe,CAAC"}

package/lib/molecule3d/core/measurement.d.ts

@@ -27,4 +27,21 @@ export interface Measurement {
     kind: MeasurementKind;
     atoms: readonly AtomReference[];
 }
+/**
+ * Whether two lists name the same measurements, of the same kinds over the
+ * same atoms, in the same order — what decides that nothing needs drawing
+ * again.
+ * @param first - One list.
+ * @param second - The other.
+ * @returns True when every measurement of one is the measurement of the other
+ * at its place.
+ */
+export declare function sameMeasurements(first: readonly Measurement[], second: readonly Measurement[]): boolean;
+/**
+ * Whether two lists name the same atoms in the same order.
+ * @param first - One list.
+ * @param second - The other.
+ * @returns True when every atom of one is the atom of the other at its place.
+ */
+export declare function sameAtoms(first: readonly AtomReference[], second: readonly AtomReference[]): boolean;
 //# sourceMappingURL=measurement.d.ts.map

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

@@ -1 +1 @@
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+{"version":3,"file":"measurement.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/core/measurement.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,8EAA8E;AAC9E,eAAO,MAAM,iBAAiB,4CAA6C,CAAC;AAE5E,wCAAwC;AACxC,MAAM,MAAM,eAAe,GAAG,CAAC,OAAO,iBAAiB,CAAC,CAAC,MAAM,CAAC,CAAC;AAEjE,oDAAoD;AACpD,eAAO,MAAM,uBAAuB,EAAE,MAAM,CAAC,eAAe,EAAE,MAAM,CAInE,CAAC;AAEF,wCAAwC;AACxC,eAAO,MAAM,kBAAkB,EAAE,MAAM,CAAC,eAAe,EAAE,MAAM,CAI9D,CAAC;AAEF,wDAAwD;AACxD,MAAM,WAAW,aAAa;IAC5B,yEAAyE;IACzE,IAAI,EAAE,MAAM,CAAC;IACb,0CAA0C;IAC1C,OAAO,EAAE,MAAM,CAAC;CACjB;AAED,qEAAqE;AACrE,MAAM,WAAW,WAAW;IAC1B,IAAI,EAAE,eAAe,CAAC;IACtB,KAAK,EAAE,SAAS,aAAa,EAAE,CAAC;CACjC;AAED;;;;;;;;GAQG;AACH,wBAAgB,gBAAgB,CAC9B,KAAK,EAAE,SAAS,WAAW,EAAE,EAC7B,MAAM,EAAE,SAAS,WAAW,EAAE,GAC7B,OAAO,CAYT;AAED;;;;;GAKG;AACH,wBAAgB,SAAS,CACvB,KAAK,EAAE,SAAS,aAAa,EAAE,EAC/B,MAAM,EAAE,SAAS,aAAa,EAAE,GAC/B,OAAO,CAUT"}

package/lib/molecule3d/core/measurement.js

@@ -21,4 +21,47 @@ export const MEASUREMENT_LABELS = {
     angle: 'Angle',
     dihedral: 'Dihedral angle',
 };
+/**
+ * Whether two lists name the same measurements, of the same kinds over the
+ * same atoms, in the same order — what decides that nothing needs drawing
+ * again.
+ * @param first - One list.
+ * @param second - The other.
+ * @returns True when every measurement of one is the measurement of the other
+ * at its place.
+ */
+export function sameMeasurements(first, second) {
+    if (first === second)
+        return true;
+    if (first.length !== second.length)
+        return false;
+    for (let index = 0; index < first.length; index++) {
+        const one = first[index];
+        const other = second[index];
+        if (one === undefined || other === undefined)
+            return false;
+        if (one.kind !== other.kind || !sameAtoms(one.atoms, other.atoms)) {
+            return false;
+        }
+    }
+    return true;
+}
+/**
+ * Whether two lists name the same atoms in the same order.
+ * @param first - One list.
+ * @param second - The other.
+ * @returns True when every atom of one is the atom of the other at its place.
+ */
+export function sameAtoms(first, second) {
+    if (first.length !== second.length)
+        return false;
+    for (let position = 0; position < first.length; position++) {
+        const atom = first[position];
+        const match = second[position];
+        if (atom?.unit !== match?.unit || atom?.element !== match?.element) {
+            return false;
+        }
+    }
+    return true;
+}
 //# sourceMappingURL=measurement.js.map

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

@@ -1 +1 @@
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+{"version":3,"file":"measurement.js","sourceRoot":"","sources":["../../../src/molecule3d/core/measurement.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,8EAA8E;AAC9E,MAAM,CAAC,MAAM,iBAAiB,GAAG,CAAC,UAAU,EAAE,OAAO,EAAE,UAAU,CAAU,CAAC;AAK5E,oDAAoD;AACpD,MAAM,CAAC,MAAM,uBAAuB,GAAoC;IACtE,QAAQ,EAAE,CAAC;IACX,KAAK,EAAE,CAAC;IACR,QAAQ,EAAE,CAAC;CACZ,CAAC;AAEF,wCAAwC;AACxC,MAAM,CAAC,MAAM,kBAAkB,GAAoC;IACjE,QAAQ,EAAE,UAAU;IACpB,KAAK,EAAE,OAAO;IACd,QAAQ,EAAE,gBAAgB;CAC3B,CAAC;AAgBF;;;;;;;;GAQG;AACH,MAAM,UAAU,gBAAgB,CAC9B,KAA6B,EAC7B,MAA8B;IAE9B,IAAI,KAAK,KAAK,MAAM;QAAE,OAAO,IAAI,CAAC;IAClC,IAAI,KAAK,CAAC,MAAM,KAAK,MAAM,CAAC,MAAM;QAAE,OAAO,KAAK,CAAC;IACjD,KAAK,IAAI,KAAK,GAAG,CAAC,EAAE,KAAK,GAAG,KAAK,CAAC,MAAM,EAAE,KAAK,EAAE,EAAE,CAAC;QAClD,MAAM,GAAG,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC;QACzB,MAAM,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC;QAC5B,IAAI,GAAG,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS;YAAE,OAAO,KAAK,CAAC;QAC3D,IAAI,GAAG,CAAC,IAAI,KAAK,KAAK,CAAC,IAAI,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,KAAK,EAAE,KAAK,CAAC,KAAK,CAAC,EAAE,CAAC;YAClE,OAAO,KAAK,CAAC;QACf,CAAC;IACH,CAAC;IACD,OAAO,IAAI,CAAC;AACd,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,SAAS,CACvB,KAA+B,EAC/B,MAAgC;IAEhC,IAAI,KAAK,CAAC,MAAM,KAAK,MAAM,CAAC,MAAM;QAAE,OAAO,KAAK,CAAC;IACjD,KAAK,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,KAAK,CAAC,MAAM,EAAE,QAAQ,EAAE,EAAE,CAAC;QAC3D,MAAM,IAAI,GAAG,KAAK,CAAC,QAAQ,CAAC,CAAC;QAC7B,MAAM,KAAK,GAAG,MAAM,CAAC,QAAQ,CAAC,CAAC;QAC/B,IAAI,IAAI,EAAE,IAAI,KAAK,KAAK,EAAE,IAAI,IAAI,IAAI,EAAE,OAAO,KAAK,KAAK,EAAE,OAAO,EAAE,CAAC;YACnE,OAAO,KAAK,CAAC;QACf,CAAC;IACH,CAAC;IACD,OAAO,IAAI,CAAC;AACd,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;;;;;;GAMG;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,CA8J3E"}
+{"version":3,"file":"MoleculeCanvas3D.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/MoleculeCanvas3D.tsx"],"names":[],"mappings":"AAAA;;;;;;GAMG;AAEH,OAAO,KAAK,EAAiB,YAAY,EAAE,MAAM,OAAO,CAAC;AAiBzD,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,CAuK3E"}

package/lib/molecule3d/ui/MoleculeCanvas3D.js

@@ -7,6 +7,7 @@ import { Molecule3DOptions } from "./Molecule3DOptions.js";
 import { Molecule3DStage } from "./Molecule3DStage.js";
 import { Molecule3DToolbar } from "./Molecule3DToolbar.js";
 import { createMolecule3DViewer } from "./createViewer.js";
+import { highlightColorOf } from "./highlightColor.js";
 import { useControlledState } from "./useControlledState.js";
 import { useImageExport } from "./useImageExport.js";
 import { useMoleculeScene } from "./useMoleculeScene.js";
@@ -17,7 +18,7 @@ import { usePolarSurfaceArea } from "./usePolarSurfaceArea.js";
  * @returns The canvas with its toolbars.
  */
 export function MoleculeCanvas3D(props) {
-    const { molfile, frameNewMolecule = 'keep', tools: toolsProp, settings: settingsProp, defaultSettings, onSettingsChange, spinning: spinningProp, defaultSpinning = false, onSpinningChange, spinSpeed = DEFAULT_SPIN_SPEED, measurements: measurementsProp, onMeasurementsChange, fileName = 'molecule', background, minHeight = 320, onFailureChange, } = props;
+    const { molfile, frameNewMolecule = 'keep', tools: toolsProp, settings: settingsProp, defaultSettings, onSettingsChange, spinning: spinningProp, defaultSpinning = false, onSpinningChange, spinSpeed = DEFAULT_SPIN_SPEED, measurements: measurementsProp, onMeasurementsChange, highlights = NO_HIGHLIGHTS, fileName = 'molecule', background, minHeight = 320, onFailureChange, } = props;
     const tools = resolveMolecule3DTools(toolsProp);
     const [initialSettings] = useState(() => normalizeMolecule3DSettings(defaultSettings));
     const [settings, setSettings] = useControlledState(settingsProp, initialSettings, onSettingsChange);
@@ -71,6 +72,10 @@ export function MoleculeCanvas3D(props) {
     useEffect(() => {
         void viewerRef.current?.setMeasureKind(measureKind);
     }, [container, measureKind]);
+    // Kept out of the scene: a new highlight repaints the model, never redraws it.
+    useEffect(() => {
+        void viewerRef.current?.setHighlights(highlights, highlightColorOf(container));
+    }, [container, highlights]);
     const { resetView } = useMoleculeScene({
         container,
         viewerRef,
@@ -90,6 +95,7 @@ export function MoleculeCanvas3D(props) {
                         }, onResetView: resetView, options: _jsx(Molecule3DOptions, { settings: settings, onChange: setSettings, polarSurfaceArea: polarSurfaceArea, defaults: initialSettings }), exportPanel: _jsx(Molecule3DExport, { getSize: canvasSize, onExport: exportImage, onCopy: copyImage }) }) }))] })) }));
 }
 const NO_MEASUREMENTS = [];
+const NO_HIGHLIGHTS = [];
 const STAGE_STYLE = {
     position: 'relative',
     flex: '1 0 auto',

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

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

@@ -1,8 +1,10 @@
 import type { Measurement } from '../core/measurement.ts';
 import type { Molecule3DFile, Molecule3DSettings } from '../core/settings.ts';
 import type { Molecule3DViewer } from './viewer.ts';
+/** The operations of the viewer a scene is drawn with. */
+export type SceneViewer = Pick<Molecule3DViewer, 'showMolecule' | 'hideMolecule' | 'showSurface' | 'showMeasurements' | 'resetCamera' | 'setCamera'>;
 /**
- * Draw the scene. `showMolecule` empties it, so the surface and the
+ * Draw the whole scene. `showMolecule` empties it, so the surface and the
  * measurements are added after the model, and the camera is framed last.
  * @param viewer - The viewer holding the canvas.
  * @param molfile - What to draw, or `null` to empty the scene.
@@ -13,5 +15,5 @@ import type { Molecule3DViewer } from './viewer.ts';
  * 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: 'none' | 'keep' | 'front'): Promise<void>;
+export declare function drawScene(viewer: SceneViewer, 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,0DAA0D;AAC1D,MAAM,MAAM,WAAW,GAAG,IAAI,CAC5B,gBAAgB,EACd,cAAc,GACd,cAAc,GACd,aAAa,GACb,kBAAkB,GAClB,aAAa,GACb,WAAW,CACd,CAAC;AAEF;;;;;;;;;;;GAWG;AACH,wBAAsB,SAAS,CAC7B,MAAM,EAAE,WAAW,EACnB,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

@@ -1,6 +1,6 @@
 import { normalizeMolecule3DSettings } from "../core/settings.js";
 /**
- * Draw the scene. `showMolecule` empties it, so the surface and the
+ * Draw the whole scene. `showMolecule` empties it, so the surface and the
  * measurements are added after the model, and the camera is framed last.
  * @param viewer - The viewer holding the canvas.
  * @param molfile - What to draw, or `null` to empty the scene.

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

@@ -1 +1 @@
-{"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"}
+{"version":3,"file":"drawScene.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/drawScene.ts"],"names":[],"mappings":"AAEA,OAAO,EAAE,2BAA2B,EAAE,MAAM,qBAAqB,CAAC;AAelE;;;;;;;;;;;GAWG;AACH,MAAM,CAAC,KAAK,UAAU,SAAS,CAC7B,MAAmB,EACnB,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/highlightColor.d.ts

@@ -0,0 +1,18 @@
+/**
+ * The colour the 3D view emphasises in, read off the page it sits on.
+ *
+ * A WebGL colour cannot be a custom property, and the family's accent is the
+ * one colour a site owns, so it cannot be written into a shared library either:
+ * the view asks the browser what `--accent` resolved to where it is drawn, as
+ * the parallel coordinates do, and hands molstar the answer.
+ */
+/**
+ * What `--accent` resolved to on an element of the view.
+ * @param element - An element of the view, once it is on the page, or `null`
+ * before it is.
+ * @returns The accent as `#rrggbb`. A site that declares none emphasises in its
+ * text colour, and a page that declares neither, or no page yet, in the
+ * family's.
+ */
+export declare function highlightColorOf(element: Element | null): string;
+//# sourceMappingURL=highlightColor.d.ts.map

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

@@ -0,0 +1 @@
+{"version":3,"file":"highlightColor.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/highlightColor.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAKH;;;;;;;GAOG;AACH,wBAAgB,gBAAgB,CAAC,OAAO,EAAE,OAAO,GAAG,IAAI,GAAG,MAAM,CAMhE"}

package/lib/molecule3d/ui/highlightColor.js

@@ -0,0 +1,31 @@
+/**
+ * The colour the 3D view emphasises in, read off the page it sits on.
+ *
+ * A WebGL colour cannot be a custom property, and the family's accent is the
+ * one colour a site owns, so it cannot be written into a shared library either:
+ * the view asks the browser what `--accent` resolved to where it is drawn, as
+ * the parallel coordinates do, and hands molstar the answer.
+ */
+import { normalizeColor } from "../../tokens/core/colors.js";
+import { FAMILY_TOKEN_VALUES } from "../../tokens/core/familyTokens.js";
+/**
+ * What `--accent` resolved to on an element of the view.
+ * @param element - An element of the view, once it is on the page, or `null`
+ * before it is.
+ * @returns The accent as `#rrggbb`. A site that declares none emphasises in its
+ * text colour, and a page that declares neither, or no page yet, in the
+ * family's.
+ */
+export function highlightColorOf(element) {
+    return (tokenColor(element, '--accent') ??
+        tokenColor(element, '--text') ??
+        FAMILY_TOKEN_VALUES['--text']);
+}
+function tokenColor(element, name) {
+    const resolve = globalThis.getComputedStyle;
+    if (element === null || typeof resolve !== 'function')
+        return undefined;
+    const color = normalizeColor(resolve(element).getPropertyValue(name));
+    return color === null ? undefined : `#${color}`;
+}
+//# sourceMappingURL=highlightColor.js.map

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

@@ -0,0 +1 @@
+{"version":3,"file":"highlightColor.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/highlightColor.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAC7D,OAAO,EAAE,mBAAmB,EAAE,MAAM,mCAAmC,CAAC;AAExE;;;;;;;GAOG;AACH,MAAM,UAAU,gBAAgB,CAAC,OAAuB;IACtD,OAAO,CACL,UAAU,CAAC,OAAO,EAAE,UAAU,CAAC;QAC/B,UAAU,CAAC,OAAO,EAAE,QAAQ,CAAC;QAC7B,mBAAmB,CAAC,QAAQ,CAAC,CAC9B,CAAC;AACJ,CAAC;AAED,SAAS,UAAU,CAAC,OAAuB,EAAE,IAAY;IACvD,MAAM,OAAO,GAAG,UAAU,CAAC,gBAAgB,CAAC;IAC5C,IAAI,OAAO,KAAK,IAAI,IAAI,OAAO,OAAO,KAAK,UAAU;QAAE,OAAO,SAAS,CAAC;IACxE,MAAM,KAAK,GAAG,cAAc,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC;IACtE,OAAO,KAAK,KAAK,IAAI,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,IAAI,KAAK,EAAE,CAAC;AAClD,CAAC"}

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

@@ -1,6 +1,7 @@
 import type { ReactNode } from 'react';
 import type { ViewerCapability } from '../../orbital/ui/capability.ts';
 import type { Molecule3DCamera } from '../core/camera.ts';
+import type { Molecule3DHighlight } from '../core/highlight.ts';
 import type { Measurement } from '../core/measurement.ts';
 import type { Molecule3DFile, Molecule3DSettings, Molecule3DTools } from '../core/settings.ts';
 /**
@@ -65,7 +66,9 @@ export interface MoleculeViewer3DProps {
     /**
      * The measurements drawn over the model, when the site owns them. They name
      * atoms by position, so they carry over to another conformer of the same
-     * molecule; a site showing an unrelated molecule should clear them.
+     * molecule; a site showing an unrelated molecule should clear them. Changing
+     * them redraws the measurements and nothing else: the model, its highlights
+     * and the camera are left as they are.
      * @default undefined
      */
     measurements?: readonly Measurement[];
@@ -74,6 +77,18 @@ export interface MoleculeViewer3DProps {
      * @default undefined
      */
     onMeasurementsChange?: (measurements: readonly Measurement[]) => void;
+    /**
+     * The parts of the model to emphasise in the site's accent colour, each a
+     * bonded path of atoms named as measurements name them: two atoms are that
+     * bond, three the two bonds of an angle, four the three bonds of a dihedral,
+     * and one atom is that atom alone. Only the bonds between consecutive atoms
+     * of one path are emphasised, never another bond between two highlighted
+     * atoms, and an atom the structure lacks is skipped. Changing them repaints
+     * the model and nothing else: the camera, the measurements and the hover are
+     * left as they are.
+     * @default [] — nothing is emphasised
+     */
+    highlights?: readonly Molecule3DHighlight[];
     /**
      * Where the camera stands when the first molecule is framed — what a shared
      * link carries. The camera belongs to whoever is dragging it afterwards, so

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

@@ -1 +1 @@
-{"version":3,"file":"moleculeViewer3DProps.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/moleculeViewer3DProps.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAEvC,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,gCAAgC,CAAC;AACvE,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,mBAAmB,CAAC;AAC1D,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EACV,cAAc,EACd,kBAAkB,EAClB,eAAe,EAChB,MAAM,qBAAqB,CAAC;AAE7B;;;;;;GAMG;AACH,MAAM,WAAW,qBAAqB;IACpC,qEAAqE;IACrE,OAAO,EAAE,cAAc,GAAG,IAAI,CAAC;IAC/B;;;;;;OAMG;IACH,gBAAgB,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC;IACpC;;;OAGG;IACH,KAAK,CAAC,EAAE,OAAO,CAAC,eAAe,CAAC,CAAC;IACjC;;;OAGG;IACH,QAAQ,CAAC,EAAE,kBAAkB,CAAC;IAC9B;;;;OAIG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC,kBAAkB,CAAC,CAAC;IAC9C;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,kBAAkB,KAAK,IAAI,CAAC;IAC1D;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC;IAC1B;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,OAAO,KAAK,IAAI,CAAC;IAC/C;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;;;OAKG;IACH,YAAY,CAAC,EAAE,SAAS,WAAW,EAAE,CAAC;IACtC;;;OAGG;IACH,oBAAoB,CAAC,EAAE,CAAC,YAAY,EAAE,SAAS,WAAW,EAAE,KAAK,IAAI,CAAC;IACtE;;;;;;OAMG;IACH,aAAa,CAAC,EAAE,gBAAgB,GAAG,IAAI,CAAC;IACxC;;;;OAIG;IACH,cAAc,CAAC,EAAE,CAAC,MAAM,EAAE,gBAAgB,KAAK,IAAI,CAAC;IACpD;;;;OAIG;IACH,iBAAiB,CAAC,EAAE,MAAM,CAAC;IAC3B;;;OAGG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB;;;OAGG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,CAAC;IACrB;;;OAGG;IACH,iBAAiB,CAAC,EAAE,CAAC,UAAU,EAAE,gBAAgB,KAAK,SAAS,CAAC;CACjE"}
+{"version":3,"file":"moleculeViewer3DProps.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/moleculeViewer3DProps.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,OAAO,CAAC;AAEvC,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,gCAAgC,CAAC;AACvE,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,mBAAmB,CAAC;AAC1D,OAAO,KAAK,EAAE,mBAAmB,EAAE,MAAM,sBAAsB,CAAC;AAChE,OAAO,KAAK,EAAE,WAAW,EAAE,MAAM,wBAAwB,CAAC;AAC1D,OAAO,KAAK,EACV,cAAc,EACd,kBAAkB,EAClB,eAAe,EAChB,MAAM,qBAAqB,CAAC;AAE7B;;;;;;GAMG;AACH,MAAM,WAAW,qBAAqB;IACpC,qEAAqE;IACrE,OAAO,EAAE,cAAc,GAAG,IAAI,CAAC;IAC/B;;;;;;OAMG;IACH,gBAAgB,CAAC,EAAE,MAAM,GAAG,OAAO,CAAC;IACpC;;;OAGG;IACH,KAAK,CAAC,EAAE,OAAO,CAAC,eAAe,CAAC,CAAC;IACjC;;;OAGG;IACH,QAAQ,CAAC,EAAE,kBAAkB,CAAC;IAC9B;;;;OAIG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC,kBAAkB,CAAC,CAAC;IAC9C;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,kBAAkB,KAAK,IAAI,CAAC;IAC1D;;;OAGG;IACH,QAAQ,CAAC,EAAE,OAAO,CAAC;IACnB;;;OAGG;IACH,eAAe,CAAC,EAAE,OAAO,CAAC;IAC1B;;;OAGG;IACH,gBAAgB,CAAC,EAAE,CAAC,QAAQ,EAAE,OAAO,KAAK,IAAI,CAAC;IAC/C;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;;;;;OAOG;IACH,YAAY,CAAC,EAAE,SAAS,WAAW,EAAE,CAAC;IACtC;;;OAGG;IACH,oBAAoB,CAAC,EAAE,CAAC,YAAY,EAAE,SAAS,WAAW,EAAE,KAAK,IAAI,CAAC;IACtE;;;;;;;;;;OAUG;IACH,UAAU,CAAC,EAAE,SAAS,mBAAmB,EAAE,CAAC;IAC5C;;;;;;OAMG;IACH,aAAa,CAAC,EAAE,gBAAgB,GAAG,IAAI,CAAC;IACxC;;;;OAIG;IACH,cAAc,CAAC,EAAE,CAAC,MAAM,EAAE,gBAAgB,KAAK,IAAI,CAAC;IACpD;;;;OAIG;IACH,iBAAiB,CAAC,EAAE,MAAM,CAAC;IAC3B;;;OAGG;IACH,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB;;;OAGG;IACH,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB;;;OAGG;IACH,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB;;;OAGG;IACH,QAAQ,CAAC,EAAE,SAAS,CAAC;IACrB;;;OAGG;IACH,iBAAiB,CAAC,EAAE,CAAC,UAAU,EAAE,gBAAgB,KAAK,SAAS,CAAC;CACjE"}

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

@@ -12,6 +12,8 @@ import type { Molecule3DFile } from '../core/settings.ts';
 import type { MoleculeStyle } from './viewerTypes.ts';
 /** State-tree ref of the structure every representation hangs off. */
 export declare const MOLECULE_STRUCTURE_REF = "molecule3d-structure";
+/** The drawn model, replaced in place whenever the style changes. */
+export declare const MODEL_REPRESENTATION_REF = "molecule3d-model";
 /**
  * Replace the displayed molecule. Everything already on screen goes first.
  * @param plugin - The molstar context.

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

@@ -1 +1 @@
-{"version":3,"file":"renderMolecule.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/renderMolecule.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,oCAAoC,CAAC;AACpE,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAOvE,OAAO,KAAK,EAAE,cAAc,EAAoB,MAAM,qBAAqB,CAAC;AAE5E,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAEtD,sEAAsE;AACtE,eAAO,MAAM,sBAAsB,yBAAyB,CAAC;AAuB7D;;;;;;;;;GASG;AACH,wBAAsB,cAAc,CAClC,MAAM,EAAE,aAAa,EACrB,OAAO,EAAE,cAAc,EACvB,KAAK,GAAE,aAAkB,GACxB,OAAO,CAAC,IAAI,CAAC,CA0Cf;AAED;;;;GAIG;AACH,wBAAsB,aAAa,CAAC,MAAM,EAAE,aAAa,GAAG,OAAO,CAAC,IAAI,CAAC,CAGxE;AAED;;;;GAIG;AACH,wBAAgB,iBAAiB,CAC/B,MAAM,EAAE,aAAa,GACpB,SAAS,GAAG,SAAS,CAIvB"}
+{"version":3,"file":"renderMolecule.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/ui/renderMolecule.ts"],"names":[],"mappings":"AAAA;;;;;;;GAOG;AAEH,OAAO,KAAK,EAAE,SAAS,EAAE,MAAM,oCAAoC,CAAC;AACpE,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,mCAAmC,CAAC;AAOvE,OAAO,KAAK,EAAE,cAAc,EAAoB,MAAM,qBAAqB,CAAC;AAE5E,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAEtD,sEAAsE;AACtE,eAAO,MAAM,sBAAsB,yBAAyB,CAAC;AAK7D,qEAAqE;AACrE,eAAO,MAAM,wBAAwB,qBAAqB,CAAC;AAiB3D;;;;;;;;;GASG;AACH,wBAAsB,cAAc,CAClC,MAAM,EAAE,aAAa,EACrB,OAAO,EAAE,cAAc,EACvB,KAAK,GAAE,aAAkB,GACxB,OAAO,CAAC,IAAI,CAAC,CA0Cf;AAED;;;;GAIG;AACH,wBAAsB,aAAa,CAAC,MAAM,EAAE,aAAa,GAAG,OAAO,CAAC,IAAI,CAAC,CAGxE;AAED;;;;GAIG;AACH,wBAAgB,iBAAiB,CAC/B,MAAM,EAAE,aAAa,GACpB,SAAS,GAAG,SAAS,CAIvB"}

package/lib/molecule3d/ui/renderMolecule.js

@@ -15,7 +15,7 @@ export const MOLECULE_STRUCTURE_REF = 'molecule3d-structure';
 /** Root of the molecule subtree: deleting it removes model and surface. */
 const MOLECULE_DATA_REF = 'molecule3d-data';
 /** The drawn model, replaced in place whenever the style changes. */
-const MODEL_REPRESENTATION_REF = 'molecule3d-model';
+export const MODEL_REPRESENTATION_REF = 'molecule3d-model';
 /**
  * molstar's ball-and-stick radius factor that a size factor of 1 stands for:
  * thin sticks and readable balls.

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

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

@@ -0,0 +1,47 @@
+/**
+ * What one canvas shows, what it is asked to show next, and the least work
+ * between the two.
+ *
+ * The measurements are drawn over the model, not into it: a change of them
+ * alone replaces their own representations and leaves the model, its surface,
+ * its highlights and the camera as they are. Only another molecule, or another
+ * style for it, draws the scene again, and only another molecule frames the
+ * camera. Draws run one after another, so a measurement never lands on a model
+ * that is half built, and the last request asked is the one drawn.
+ */
+import type { Molecule3DCamera } from '../core/camera.ts';
+import type { Measurement } from '../core/measurement.ts';
+import type { Molecule3DFile, Molecule3DSettings } from '../core/settings.ts';
+import type { SceneViewer } from './drawScene.ts';
+/** What the canvas is asked to show. */
+export interface SceneRequest {
+    /** What to draw, or `null` to empty the scene. */
+    molfile: Molecule3DFile | null;
+    /** How the model is drawn. */
+    settings: Molecule3DSettings;
+    /** What is drawn over it. */
+    measurements: readonly Measurement[];
+    /** How the camera meets a molecule it has not shown before. */
+    frameNewMolecule: 'front' | 'keep';
+}
+/** Keeps one viewer showing the last scene it was asked for. */
+export declare class SceneDrawer {
+    #private;
+    /** The viewer drawn on. */
+    readonly viewer: SceneViewer;
+    /**
+     * Start drawing on `viewer`, whose scene is empty.
+     * @param viewer - The viewer to draw on.
+     * @param takeLinkedCamera - Asked when a molecule is new: a camera to stand
+     * at instead of framing it, or `null`.
+     */
+    constructor(viewer: SceneViewer, takeLinkedCamera: () => Molecule3DCamera | null);
+    /**
+     * Bring the canvas to `request`, once whatever was asked before is drawn.
+     * @param request - The scene to show; replaces any request still waiting.
+     * @returns Nothing; resolves once the canvas shows the last request asked,
+     * and rejects with what stopped it from being drawn.
+     */
+    draw(request: SceneRequest): Promise<void>;
+}
+//# sourceMappingURL=sceneDrawer.d.ts.map

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

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