react-cheminfo 0.64.0 → 0.64.1

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

@@ -1 +1 @@
-{"version":3,"file":"highlight.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/core/highlight.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAEtD,0DAA0D;AAC1D,MAAM,WAAW,mBAAmB;IAClC;;;;OAIG;IACH,KAAK,EAAE,SAAS,aAAa,EAAE,CAAC;CACjC;AAED,wEAAwE;AACxE,MAAM,MAAM,eAAe,GAAG,SAAS,CAAC,aAAa,EAAE,aAAa,CAAC,CAAC;AAEtE,2EAA2E;AAC3E,MAAM,WAAW,gBAAgB;IAC/B,wEAAwE;IACxE,KAAK,EAAE,SAAS,aAAa,EAAE,CAAC;IAChC,+EAA+E;IAC/E,KAAK,EAAE,SAAS,eAAe,EAAE,CAAC;CACnC;AAED;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,gBAAgB,CAC9B,UAAU,EAAE,SAAS,mBAAmB,EAAE,EAC1C,OAAO,GAAE,CAAC,IAAI,EAAE,aAAa,KAAK,OAAmB,GACpD,gBAAgB,CA2BlB;AAED;;;;;;GAMG;AACH,wBAAgB,cAAc,CAC5B,KAAK,EAAE,SAAS,mBAAmB,EAAE,EACrC,MAAM,EAAE,SAAS,mBAAmB,EAAE,GACrC,OAAO,CAiBT"}
+{"version":3,"file":"highlight.d.ts","sourceRoot":"","sources":["../../../src/molecule3d/core/highlight.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAEH,OAAO,KAAK,EAAE,aAAa,EAAE,MAAM,kBAAkB,CAAC;AAGtD,0DAA0D;AAC1D,MAAM,WAAW,mBAAmB;IAClC;;;;OAIG;IACH,KAAK,EAAE,SAAS,aAAa,EAAE,CAAC;CACjC;AAED,wEAAwE;AACxE,MAAM,MAAM,eAAe,GAAG,SAAS,CAAC,aAAa,EAAE,aAAa,CAAC,CAAC;AAEtE,2EAA2E;AAC3E,MAAM,WAAW,gBAAgB;IAC/B,wEAAwE;IACxE,KAAK,EAAE,SAAS,aAAa,EAAE,CAAC;IAChC,+EAA+E;IAC/E,KAAK,EAAE,SAAS,eAAe,EAAE,CAAC;CACnC;AAED;;;;;;;;;;;;;;GAcG;AACH,wBAAgB,gBAAgB,CAC9B,UAAU,EAAE,SAAS,mBAAmB,EAAE,EAC1C,OAAO,GAAE,CAAC,IAAI,EAAE,aAAa,KAAK,OAAmB,GACpD,gBAAgB,CA2BlB;AAED;;;;;;GAMG;AACH,wBAAgB,cAAc,CAC5B,KAAK,EAAE,SAAS,mBAAmB,EAAE,EACrC,MAAM,EAAE,SAAS,mBAAmB,EAAE,GACrC,OAAO,CAUT"}

package/lib/molecule3d/core/highlight.js

@@ -7,6 +7,7 @@
  * 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.
  *
@@ -67,15 +68,8 @@ export function sameHighlights(first, second) {
         const other = second[index]?.atoms;
         if (one === undefined || other === undefined)
             return false;
-        if (one.length !== other.length)
+        if (!sameAtoms(one, other))
             return false;
-        for (let position = 0; position < one.length; position++) {
-            const atom = one[position];
-            const match = other[position];
-            if (atom?.unit !== match?.unit || atom?.element !== match?.element) {
-                return false;
-            }
-        }
     }
     return true;
 }

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

@@ -1 +1 @@
-{"version":3,"file":"highlight.js","sourceRoot":"","sources":["../../../src/molecule3d/core/highlight.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAyBH;;;;;;;;;;;;;;GAcG;AACH,MAAM,UAAU,gBAAgB,CAC9B,UAA0C,EAC1C,UAA4C,SAAS;IAErD,MAAM,KAAK,GAAoB,EAAE,CAAC;IAClC,MAAM,KAAK,GAAsB,EAAE,CAAC;IACpC,MAAM,QAAQ,GAAG,IAAI,GAAG,EAAU,CAAC;IACnC,MAAM,QAAQ,GAAG,IAAI,GAAG,EAAU,CAAC;IACnC,KAAK,MAAM,SAAS,IAAI,UAAU,EAAE,CAAC;QACnC,IAAI,QAAmC,CAAC;QACxC,KAAK,MAAM,IAAI,IAAI,SAAS,CAAC,KAAK,EAAE,CAAC;YACnC,MAAM,OAAO,GAAG,eAAe,CAAC,IAAI,CAAC,IAAI,OAAO,CAAC,IAAI,CAAC,CAAC;YACvD,IAAI,OAAO,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,EAAE,CAAC;gBAC5C,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;gBAC5B,KAAK,CAAC,IAAI,CAAC,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,OAAO,EAAE,IAAI,CAAC,OAAO,EAAE,CAAC,CAAC;YACzD,CAAC;YACD,IAAI,OAAO,IAAI,QAAQ,KAAK,SAAS,EAAE,CAAC;gBACtC,MAAM,GAAG,GAAG,OAAO,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;gBACpC,IAAI,GAAG,KAAK,IAAI,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC;oBACvC,QAAQ,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;oBAClB,KAAK,CAAC,IAAI,CAAC;wBACT,EAAE,IAAI,EAAE,QAAQ,CAAC,IAAI,EAAE,OAAO,EAAE,QAAQ,CAAC,OAAO,EAAE;wBAClD,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,OAAO,EAAE,IAAI,CAAC,OAAO,EAAE;qBAC3C,CAAC,CAAC;gBACL,CAAC;YACH,CAAC;YACD,QAAQ,GAAG,OAAO,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,SAAS,CAAC;QACxC,CAAC;IACH,CAAC;IACD,OAAO,EAAE,KAAK,EAAE,KAAK,EAAE,CAAC;AAC1B,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,cAAc,CAC5B,KAAqC,EACrC,MAAsC;IAEtC,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,EAAE,KAAK,CAAC;QAChC,MAAM,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,EAAE,KAAK,CAAC;QACnC,IAAI,GAAG,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS;YAAE,OAAO,KAAK,CAAC;QAC3D,IAAI,GAAG,CAAC,MAAM,KAAK,KAAK,CAAC,MAAM;YAAE,OAAO,KAAK,CAAC;QAC9C,KAAK,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,GAAG,CAAC,MAAM,EAAE,QAAQ,EAAE,EAAE,CAAC;YACzD,MAAM,IAAI,GAAG,GAAG,CAAC,QAAQ,CAAC,CAAC;YAC3B,MAAM,KAAK,GAAG,KAAK,CAAC,QAAQ,CAAC,CAAC;YAC9B,IAAI,IAAI,EAAE,IAAI,KAAK,KAAK,EAAE,IAAI,IAAI,IAAI,EAAE,OAAO,KAAK,KAAK,EAAE,OAAO,EAAE,CAAC;gBACnE,OAAO,KAAK,CAAC;YACf,CAAC;QACH,CAAC;IACH,CAAC;IACD,OAAO,IAAI,CAAC;AACd,CAAC;AAED,SAAS,SAAS;IAChB,OAAO,IAAI,CAAC;AACd,CAAC;AAED,SAAS,eAAe,CAAC,IAAmB;IAC1C,OAAO,CACL,MAAM,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC;QAC3B,IAAI,CAAC,IAAI,IAAI,CAAC;QACd,MAAM,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC;QAC9B,IAAI,CAAC,OAAO,IAAI,CAAC,CAClB,CAAC;AACJ,CAAC;AAED,SAAS,OAAO,CAAC,IAAmB;IAClC,OAAO,GAAG,IAAI,CAAC,IAAI,IAAI,IAAI,CAAC,OAAO,EAAE,CAAC;AACxC,CAAC;AAED,4EAA4E;AAC5E,SAAS,OAAO,CAAC,KAAoB,EAAE,MAAqB;IAC1D,MAAM,GAAG,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC;IAC3B,MAAM,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC;IAC9B,IAAI,GAAG,KAAK,KAAK;QAAE,OAAO,IAAI,CAAC;IAC/B,OAAO,GAAG,GAAG,KAAK,CAAC,CAAC,CAAC,GAAG,GAAG,IAAI,KAAK,EAAE,CAAC,CAAC,CAAC,GAAG,KAAK,IAAI,GAAG,EAAE,CAAC;AAC7D,CAAC"}
+{"version":3,"file":"highlight.js","sourceRoot":"","sources":["../../../src/molecule3d/core/highlight.ts"],"names":[],"mappings":"AAAA;;;;;;;;GAQG;AAGH,OAAO,EAAE,SAAS,EAAE,MAAM,kBAAkB,CAAC;AAuB7C;;;;;;;;;;;;;;GAcG;AACH,MAAM,UAAU,gBAAgB,CAC9B,UAA0C,EAC1C,UAA4C,SAAS;IAErD,MAAM,KAAK,GAAoB,EAAE,CAAC;IAClC,MAAM,KAAK,GAAsB,EAAE,CAAC;IACpC,MAAM,QAAQ,GAAG,IAAI,GAAG,EAAU,CAAC;IACnC,MAAM,QAAQ,GAAG,IAAI,GAAG,EAAU,CAAC;IACnC,KAAK,MAAM,SAAS,IAAI,UAAU,EAAE,CAAC;QACnC,IAAI,QAAmC,CAAC;QACxC,KAAK,MAAM,IAAI,IAAI,SAAS,CAAC,KAAK,EAAE,CAAC;YACnC,MAAM,OAAO,GAAG,eAAe,CAAC,IAAI,CAAC,IAAI,OAAO,CAAC,IAAI,CAAC,CAAC;YACvD,IAAI,OAAO,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,EAAE,CAAC;gBAC5C,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;gBAC5B,KAAK,CAAC,IAAI,CAAC,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,OAAO,EAAE,IAAI,CAAC,OAAO,EAAE,CAAC,CAAC;YACzD,CAAC;YACD,IAAI,OAAO,IAAI,QAAQ,KAAK,SAAS,EAAE,CAAC;gBACtC,MAAM,GAAG,GAAG,OAAO,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;gBACpC,IAAI,GAAG,KAAK,IAAI,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC;oBACvC,QAAQ,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;oBAClB,KAAK,CAAC,IAAI,CAAC;wBACT,EAAE,IAAI,EAAE,QAAQ,CAAC,IAAI,EAAE,OAAO,EAAE,QAAQ,CAAC,OAAO,EAAE;wBAClD,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,OAAO,EAAE,IAAI,CAAC,OAAO,EAAE;qBAC3C,CAAC,CAAC;gBACL,CAAC;YACH,CAAC;YACD,QAAQ,GAAG,OAAO,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,SAAS,CAAC;QACxC,CAAC;IACH,CAAC;IACD,OAAO,EAAE,KAAK,EAAE,KAAK,EAAE,CAAC;AAC1B,CAAC;AAED;;;;;;GAMG;AACH,MAAM,UAAU,cAAc,CAC5B,KAAqC,EACrC,MAAsC;IAEtC,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,EAAE,KAAK,CAAC;QAChC,MAAM,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,EAAE,KAAK,CAAC;QACnC,IAAI,GAAG,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS;YAAE,OAAO,KAAK,CAAC;QAC3D,IAAI,CAAC,SAAS,CAAC,GAAG,EAAE,KAAK,CAAC;YAAE,OAAO,KAAK,CAAC;IAC3C,CAAC;IACD,OAAO,IAAI,CAAC;AACd,CAAC;AAED,SAAS,SAAS;IAChB,OAAO,IAAI,CAAC;AACd,CAAC;AAED,SAAS,eAAe,CAAC,IAAmB;IAC1C,OAAO,CACL,MAAM,CAAC,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC;QAC3B,IAAI,CAAC,IAAI,IAAI,CAAC;QACd,MAAM,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC;QAC9B,IAAI,CAAC,OAAO,IAAI,CAAC,CAClB,CAAC;AACJ,CAAC;AAED,SAAS,OAAO,CAAC,IAAmB;IAClC,OAAO,GAAG,IAAI,CAAC,IAAI,IAAI,IAAI,CAAC,OAAO,EAAE,CAAC;AACxC,CAAC;AAED,4EAA4E;AAC5E,SAAS,OAAO,CAAC,KAAoB,EAAE,MAAqB;IAC1D,MAAM,GAAG,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC;IAC3B,MAAM,KAAK,GAAG,OAAO,CAAC,MAAM,CAAC,CAAC;IAC9B,IAAI,GAAG,KAAK,KAAK;QAAE,OAAO,IAAI,CAAC;IAC/B,OAAO,GAAG,GAAG,KAAK,CAAC,CAAC,CAAC,GAAG,GAAG,IAAI,KAAK,EAAE,CAAC,CAAC,CAAC,GAAG,KAAK,IAAI,GAAG,EAAE,CAAC;AAC7D,CAAC"}

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

@@ -7,7 +7,7 @@ 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 @@
-{"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,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,uBAAuB,EACvB,sBAAsB,EACtB,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,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

@@ -2,6 +2,6 @@ export { DEFAULT_MOLECULE_3D_CAMERA, MOLECULE_3D_ZOOM_RANGE, formatMolecule3DCam
 export { dataUriBytes, rasterSvgMarkup } from "./exportImage.js";
 export { MOLECULE_3D_GESTURES } from "./gestures.js";
 export { highlightedParts, sameHighlights } from "./highlight.js";
-export { MEASUREMENT_ATOM_COUNTS, MEASUREMENT_KINDS, MEASUREMENT_LABELS, } from "./measurement.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/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 @@
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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;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/moleculeViewer3DProps.d.ts

@@ -66,7 +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[];

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

@@ -0,0 +1 @@
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package/lib/molecule3d/ui/sceneDrawer.js

@@ -0,0 +1,103 @@
+/**
+ * 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 { sameMeasurements } from "../core/measurement.js";
+import { sameMolecule3DSettings } from "../core/settings.js";
+import { drawScene } from "./drawScene.js";
+/** Keeps one viewer showing the last scene it was asked for. */
+export class SceneDrawer {
+    /** The viewer drawn on. */
+    viewer;
+    #takeLinkedCamera;
+    #asked = null;
+    // The model on screen, or `null` when the next request must draw it again.
+    #drawn = null;
+    // The measurements on screen, or `null` when the next request must draw them.
+    #measured = [];
+    // The molecule the camera was last framed on, so another one is told apart.
+    #framed = null;
+    #queue = Promise.resolve();
+    /**
+     * 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, takeLinkedCamera) {
+        this.viewer = viewer;
+        this.#takeLinkedCamera = takeLinkedCamera;
+    }
+    /**
+     * 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) {
+        this.#asked = request;
+        const drawn = this.#queue.then(() => this.#catchUp());
+        this.#queue = drawn.catch(ignore);
+        return drawn;
+    }
+    async #catchUp() {
+        const request = this.#asked;
+        if (request === null)
+            return;
+        const drawn = this.#drawn;
+        if (drawn !== null &&
+            sameFile(drawn.molfile, request.molfile) &&
+            sameMolecule3DSettings(drawn.settings, request.settings)) {
+            await this.#measure(request);
+            return;
+        }
+        await this.#redraw(request);
+    }
+    // The model stays: only the measurements over it can have changed.
+    async #measure(request) {
+        const { molfile, measurements } = request;
+        const measured = this.#measured;
+        if (measured !== null && sameMeasurements(measured, measurements))
+            return;
+        // As for the model: a list that fails partway is drawn again next time.
+        this.#measured = null;
+        // An empty scene has nothing to measure; the list waits for a molecule.
+        if (molfile !== null)
+            await this.viewer.showMeasurements(measurements);
+        this.#measured = measurements;
+    }
+    async #redraw(request) {
+        const { molfile, settings, measurements, frameNewMolecule } = request;
+        const isNew = molfile !== null &&
+            (this.#framed === null || !sameFile(this.#framed, molfile));
+        this.#framed = molfile;
+        // A link's camera is spent on the first molecule framed; afterwards the
+        // camera is the reader's and a new molecule is framed as usual.
+        const linked = isNew ? this.#takeLinkedCamera() : null;
+        const frameCamera = isNew && linked === null ? frameNewMolecule : 'none';
+        // Kept only once drawn: a draw that fails is drawn again by the next
+        // request, whatever that one changes.
+        this.#drawn = null;
+        await drawScene(this.viewer, molfile, settings, measurements, frameCamera);
+        this.#drawn = { molfile, settings };
+        this.#measured = measurements;
+        if (linked !== null)
+            await this.viewer.setCamera(linked);
+    }
+}
+function sameFile(first, second) {
+    if (first === null || second === null)
+        return first === second;
+    return first.format === second.format && first.data === second.data;
+}
+function ignore() {
+    // A failure reached the caller of `draw`; the next draw still runs.
+}
+//# sourceMappingURL=sceneDrawer.js.map

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

@@ -0,0 +1 @@
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package/lib/molecule3d/ui/useMoleculeScene.d.ts

@@ -5,7 +5,8 @@
  * The draw is coalesced into one animation frame, so dragging a slider costs
  * one rebuild rather than one per pixel, and the camera is framed only when the
  * molecule is new — a restyle that snapped the view back would undo the
- * reader's orientation.
+ * reader's orientation. What each draw rebuilds is the scene drawer's call: a
+ * change of the measurements alone redraws them and nothing else.
  */
 import type { RefObject } from 'react';
 import type { Measurement } from '../core/measurement.ts';

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

@@ -1 +1 @@
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package/lib/molecule3d/ui/useMoleculeScene.js

@@ -5,10 +5,11 @@
  * The draw is coalesced into one animation frame, so dragging a slider costs
  * one rebuild rather than one per pixel, and the camera is framed only when the
  * molecule is new — a restyle that snapped the view back would undo the
- * reader's orientation.
+ * reader's orientation. What each draw rebuilds is the scene drawer's call: a
+ * change of the measurements alone redraws them and nothing else.
  */
 import { useCallback, useEffect, useRef } from 'react';
-import { drawScene } from "./drawScene.js";
+import { SceneDrawer } from "./sceneDrawer.js";
 import { DEFAULT_CAMERA_SETTLE_DELAY, useSharedCamera, } from "./useSharedCamera.js";
 /**
  * Draw the scene the options describe, and keep it drawn.
@@ -17,7 +18,7 @@ import { DEFAULT_CAMERA_SETTLE_DELAY, useSharedCamera, } from "./useSharedCamera
  */
 export function useMoleculeScene(options) {
     const { container, viewerRef, molfile, frameNewMolecule, settings, measurements, spinning, onFailureChange, camera: cameraProps, } = options;
-    const framedRef = useRef(null);
+    const drawerRef = useRef(null);
     const reportFailure = useRef(onFailureChange);
     useEffect(() => {
         reportFailure.current = onFailureChange;
@@ -34,27 +35,17 @@ export function useMoleculeScene(options) {
         const viewer = viewerRef.current;
         if (container === null || viewer === null)
             return;
+        // A new viewer starts from an empty scene, so it gets a drawer of its own.
+        if (drawerRef.current?.viewer !== viewer) {
+            drawerRef.current = new SceneDrawer(viewer, camera.takeLinkedCamera);
+        }
+        const drawer = drawerRef.current;
         let cancelled = false;
         const frame = requestAnimationFrame(() => {
-            const framed = framedRef.current;
-            const isNew = molfile !== null &&
-                (framed?.molfile !== molfile || framed.viewer !== viewer);
-            framedRef.current = molfile === null ? null : { molfile, viewer };
-            // The link's camera is spent on the first molecule framed; afterwards the
-            // camera is the reader's and a new molecule is framed as usual.
-            const linked = isNew
-                ? camera.takeLinkedCamera()
-                : null;
-            const frameCamera = isNew && linked === null ? frameNewMolecule : 'none';
-            void drawScene(viewer, molfile, settings, measurements, frameCamera)
-                .then(() => {
-                if (cancelled)
-                    return;
-                if (linked !== null)
-                    void viewer.setCamera(linked);
-                reportFailure.current(null);
-            })
-                .catch((error) => {
+            drawer.draw({ molfile, settings, measurements, frameNewMolecule }).then(() => {
+                if (!cancelled)
+                    reportFailure.current(null);
+            }, (error) => {
                 if (cancelled)
                     return;
                 reportFailure.current(error instanceof Error ? error.message : String(error));

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

@@ -1 +1 @@
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+{"version":3,"file":"useMoleculeScene.js","sourceRoot":"","sources":["../../../src/molecule3d/ui/useMoleculeScene.ts"],"names":[],"mappings":"AAAA;;;;;;;;;GASG;AAGH,OAAO,EAAE,WAAW,EAAE,SAAS,EAAE,MAAM,EAAE,MAAM,OAAO,CAAC;AAMvD,OAAO,EAAE,WAAW,EAAE,MAAM,kBAAkB,CAAC;AAC/C,OAAO,EACL,2BAA2B,EAC3B,eAAe,GAChB,MAAM,sBAAsB,CAAC;AAkC9B;;;;GAIG;AACH,MAAM,UAAU,gBAAgB,CAAC,OAA6B;IAC5D,MAAM,EACJ,SAAS,EACT,SAAS,EACT,OAAO,EACP,gBAAgB,EAChB,QAAQ,EACR,YAAY,EACZ,QAAQ,EACR,eAAe,EACf,MAAM,EAAE,WAAW,GACpB,GAAG,OAAO,CAAC;IACZ,MAAM,SAAS,GAAG,MAAM,CAAqB,IAAI,CAAC,CAAC;IACnD,MAAM,aAAa,GAAG,MAAM,CAAC,eAAe,CAAC,CAAC;IAC9C,SAAS,CAAC,GAAG,EAAE;QACb,aAAa,CAAC,OAAO,GAAG,eAAe,CAAC;IAC1C,CAAC,CAAC,CAAC;IAEH,MAAM,MAAM,GAAG,eAAe,CAAC;QAC7B,SAAS;QACT,SAAS;QACT,QAAQ;QACR,aAAa,EAAE,WAAW,CAAC,aAAa,IAAI,IAAI;QAChD,cAAc,EAAE,WAAW,CAAC,cAAc;QAC1C,WAAW,EAAE,WAAW,CAAC,iBAAiB,IAAI,2BAA2B;KAC1E,CAAC,CAAC;IAEH,SAAS,CAAC,GAAG,EAAE;QACb,MAAM,MAAM,GAAG,SAAS,CAAC,OAAO,CAAC;QACjC,IAAI,SAAS,KAAK,IAAI,IAAI,MAAM,KAAK,IAAI;YAAE,OAAO;QAClD,2EAA2E;QAC3E,IAAI,SAAS,CAAC,OAAO,EAAE,MAAM,KAAK,MAAM,EAAE,CAAC;YACzC,SAAS,CAAC,OAAO,GAAG,IAAI,WAAW,CAAC,MAAM,EAAE,MAAM,CAAC,gBAAgB,CAAC,CAAC;QACvE,CAAC;QACD,MAAM,MAAM,GAAG,SAAS,CAAC,OAAO,CAAC;QACjC,IAAI,SAAS,GAAG,KAAK,CAAC;QACtB,MAAM,KAAK,GAAG,qBAAqB,CAAC,GAAG,EAAE;YACvC,MAAM,CAAC,IAAI,CAAC,EAAE,OAAO,EAAE,QAAQ,EAAE,YAAY,EAAE,gBAAgB,EAAE,CAAC,CAAC,IAAI,CACrE,GAAG,EAAE;gBACH,IAAI,CAAC,SAAS;oBAAE,aAAa,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC;YAC9C,CAAC,EACD,CAAC,KAAc,EAAE,EAAE;gBACjB,IAAI,SAAS;oBAAE,OAAO;gBACtB,aAAa,CAAC,OAAO,CACnB,KAAK,YAAY,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,MAAM,CAAC,KAAK,CAAC,CACvD,CAAC;YACJ,CAAC,CACF,CAAC;QACJ,CAAC,CAAC,CAAC;QACH,OAAO,GAAG,EAAE;YACV,SAAS,GAAG,IAAI,CAAC;YACjB,oBAAoB,CAAC,KAAK,CAAC,CAAC;QAC9B,CAAC,CAAC;IACJ,CAAC,EAAE;QACD,SAAS;QACT,SAAS;QACT,OAAO;QACP,gBAAgB;QAChB,QAAQ;QACR,YAAY;QACZ,MAAM;KACP,CAAC,CAAC;IAEH,MAAM,SAAS,GAAG,WAAW,CAAC,GAAG,EAAE;QACjC,MAAM,CAAC,QAAQ,EAAE,CAAC;QAClB,KAAK,SAAS,CAAC,OAAO,EAAE,WAAW,EAAE,CAAC;IACxC,CAAC,EAAE,CAAC,MAAM,EAAE,SAAS,CAAC,CAAC,CAAC;IAExB,OAAO,EAAE,SAAS,EAAE,CAAC;AACvB,CAAC"}

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

@@ -29,9 +29,7 @@ export interface SharedCameraOptions {
 }
 /**
  * What {@link useSharedCamera} answers. The same object on every render: the
- * draw effect keys on it, and a fresh one would tear the scene down and build
- * it again — which makes molstar frame the model afresh and loses the camera a
- * link had just restored.
+ * draw effect keys on it, and a fresh one would run it again for nothing.
  */
 export interface SharedCamera {
     /**

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

@@ -1 +1 @@
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package/lib/molecule3d/ui/useSharedCamera.js.map

@@ -1 +1 @@
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package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "react-cheminfo",
-  "version": "0.64.0",
+  "version": "0.64.1",
   "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",

package/src/molecule3d/core/highlight.ts

@@ -9,6 +9,7 @@
  */
 
 import type { AtomReference } from './measurement.ts';
+import { sameAtoms } from './measurement.ts';
 
 /** One bonded path of atoms to emphasise on the model. */
 export interface Molecule3DHighlight {
@@ -95,14 +96,7 @@ export function sameHighlights(
     const one = first[index]?.atoms;
     const other = second[index]?.atoms;
     if (one === undefined || other === undefined) return false;
-    if (one.length !== other.length) return false;
-    for (let position = 0; position < one.length; position++) {
-      const atom = one[position];
-      const match = other[position];
-      if (atom?.unit !== match?.unit || atom?.element !== match?.element) {
-        return false;
-      }
-    }
+    if (!sameAtoms(one, other)) return false;
   }
   return true;
 }

package/src/molecule3d/core/index.ts

@@ -31,6 +31,7 @@ export {
   MEASUREMENT_ATOM_COUNTS,
   MEASUREMENT_KINDS,
   MEASUREMENT_LABELS,
+  sameMeasurements,
 } from './measurement.ts';
 export type {
   Molecule3DFile,

package/src/molecule3d/core/measurement.ts

@@ -41,3 +41,50 @@ 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 function sameMeasurements(
+  first: readonly Measurement[],
+  second: readonly Measurement[],
+): boolean {
+  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: readonly AtomReference[],
+  second: readonly AtomReference[],
+): boolean {
+  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;
+}

package/src/molecule3d/ui/drawScene.ts

@@ -4,8 +4,19 @@ import { normalizeMolecule3DSettings } 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.
@@ -17,7 +28,7 @@ import type { Molecule3DViewer } from './viewer.ts';
  * @returns Nothing; resolves once the scene is complete.
  */
 export async function drawScene(
-  viewer: Molecule3DViewer,
+  viewer: SceneViewer,
   molfile: Molecule3DFile | null,
   settings: Molecule3DSettings,
   measurements: readonly Measurement[],

package/src/molecule3d/ui/moleculeViewer3DProps.ts

@@ -72,7 +72,9 @@ 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[];

package/src/molecule3d/ui/sceneDrawer.ts

@@ -0,0 +1,132 @@
+/**
+ * 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 { sameMeasurements } from '../core/measurement.ts';
+import type { Molecule3DFile, Molecule3DSettings } from '../core/settings.ts';
+import { sameMolecule3DSettings } from '../core/settings.ts';
+
+import type { SceneViewer } from './drawScene.ts';
+import { drawScene } 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 class SceneDrawer {
+  /** The viewer drawn on. */
+  readonly viewer: SceneViewer;
+  readonly #takeLinkedCamera: () => Molecule3DCamera | null;
+  #asked: SceneRequest | null = null;
+  // The model on screen, or `null` when the next request must draw it again.
+  #drawn: Pick<SceneRequest, 'molfile' | 'settings'> | null = null;
+  // The measurements on screen, or `null` when the next request must draw them.
+  #measured: readonly Measurement[] | null = [];
+  // The molecule the camera was last framed on, so another one is told apart.
+  #framed: Molecule3DFile | null = null;
+  #queue: Promise<void> = Promise.resolve();
+
+  /**
+   * 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,
+  ) {
+    this.viewer = viewer;
+    this.#takeLinkedCamera = takeLinkedCamera;
+  }
+
+  /**
+   * 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> {
+    this.#asked = request;
+    const drawn = this.#queue.then(() => this.#catchUp());
+    this.#queue = drawn.catch(ignore);
+    return drawn;
+  }
+
+  async #catchUp(): Promise<void> {
+    const request = this.#asked;
+    if (request === null) return;
+    const drawn = this.#drawn;
+    if (
+      drawn !== null &&
+      sameFile(drawn.molfile, request.molfile) &&
+      sameMolecule3DSettings(drawn.settings, request.settings)
+    ) {
+      await this.#measure(request);
+      return;
+    }
+    await this.#redraw(request);
+  }
+
+  // The model stays: only the measurements over it can have changed.
+  async #measure(request: SceneRequest): Promise<void> {
+    const { molfile, measurements } = request;
+    const measured = this.#measured;
+    if (measured !== null && sameMeasurements(measured, measurements)) return;
+    // As for the model: a list that fails partway is drawn again next time.
+    this.#measured = null;
+    // An empty scene has nothing to measure; the list waits for a molecule.
+    if (molfile !== null) await this.viewer.showMeasurements(measurements);
+    this.#measured = measurements;
+  }
+
+  async #redraw(request: SceneRequest): Promise<void> {
+    const { molfile, settings, measurements, frameNewMolecule } = request;
+    const isNew =
+      molfile !== null &&
+      (this.#framed === null || !sameFile(this.#framed, molfile));
+    this.#framed = molfile;
+    // A link's camera is spent on the first molecule framed; afterwards the
+    // camera is the reader's and a new molecule is framed as usual.
+    const linked = isNew ? this.#takeLinkedCamera() : null;
+    const frameCamera = isNew && linked === null ? frameNewMolecule : 'none';
+    // Kept only once drawn: a draw that fails is drawn again by the next
+    // request, whatever that one changes.
+    this.#drawn = null;
+    await drawScene(this.viewer, molfile, settings, measurements, frameCamera);
+    this.#drawn = { molfile, settings };
+    this.#measured = measurements;
+    if (linked !== null) await this.viewer.setCamera(linked);
+  }
+}
+
+function sameFile(
+  first: Molecule3DFile | null,
+  second: Molecule3DFile | null,
+): boolean {
+  if (first === null || second === null) return first === second;
+  return first.format === second.format && first.data === second.data;
+}
+
+function ignore(): void {
+  // A failure reached the caller of `draw`; the next draw still runs.
+}

package/src/molecule3d/ui/useMoleculeScene.ts

@@ -5,18 +5,18 @@
  * The draw is coalesced into one animation frame, so dragging a slider costs
  * one rebuild rather than one per pixel, and the camera is framed only when the
  * molecule is new — a restyle that snapped the view back would undo the
- * reader's orientation.
+ * reader's orientation. What each draw rebuilds is the scene drawer's call: a
+ * change of the measurements alone redraws them and nothing else.
  */
 
 import type { RefObject } from 'react';
 import { useCallback, useEffect, useRef } from 'react';
 
-import type { Molecule3DCamera } from '../core/camera.ts';
 import type { Measurement } from '../core/measurement.ts';
 import type { Molecule3DFile, Molecule3DSettings } from '../core/settings.ts';
 
-import { drawScene } from './drawScene.ts';
 import type { MoleculeViewer3DProps } from './moleculeViewer3DProps.ts';
+import { SceneDrawer } from './sceneDrawer.ts';
 import {
   DEFAULT_CAMERA_SETTLE_DELAY,
   useSharedCamera,
@@ -71,10 +71,7 @@ export function useMoleculeScene(options: MoleculeSceneOptions): MoleculeScene {
     onFailureChange,
     camera: cameraProps,
   } = options;
-  const framedRef = useRef<{
-    molfile: Molecule3DFile;
-    viewer: Molecule3DViewer;
-  } | null>(null);
+  const drawerRef = useRef<SceneDrawer | null>(null);
   const reportFailure = useRef(onFailureChange);
   useEffect(() => {
     reportFailure.current = onFailureChange;
@@ -92,31 +89,24 @@ export function useMoleculeScene(options: MoleculeSceneOptions): MoleculeScene {
   useEffect(() => {
     const viewer = viewerRef.current;
     if (container === null || viewer === null) return;
+    // A new viewer starts from an empty scene, so it gets a drawer of its own.
+    if (drawerRef.current?.viewer !== viewer) {
+      drawerRef.current = new SceneDrawer(viewer, camera.takeLinkedCamera);
+    }
+    const drawer = drawerRef.current;
     let cancelled = false;
     const frame = requestAnimationFrame(() => {
-      const framed = framedRef.current;
-      const isNew =
-        molfile !== null &&
-        (framed?.molfile !== molfile || framed.viewer !== viewer);
-      framedRef.current = molfile === null ? null : { molfile, viewer };
-      // The link's camera is spent on the first molecule framed; afterwards the
-      // camera is the reader's and a new molecule is framed as usual.
-      const linked: Molecule3DCamera | null = isNew
-        ? camera.takeLinkedCamera()
-        : null;
-      const frameCamera = isNew && linked === null ? frameNewMolecule : 'none';
-      void drawScene(viewer, molfile, settings, measurements, frameCamera)
-        .then(() => {
-          if (cancelled) return;
-          if (linked !== null) void viewer.setCamera(linked);
-          reportFailure.current(null);
-        })
-        .catch((error: unknown) => {
+      drawer.draw({ molfile, settings, measurements, frameNewMolecule }).then(
+        () => {
+          if (!cancelled) reportFailure.current(null);
+        },
+        (error: unknown) => {
           if (cancelled) return;
           reportFailure.current(
             error instanceof Error ? error.message : String(error),
           );
-        });
+        },
+      );
     });
     return () => {
       cancelled = true;

package/src/molecule3d/ui/useSharedCamera.ts

@@ -37,9 +37,7 @@ export interface SharedCameraOptions {
 
 /**
  * What {@link useSharedCamera} answers. The same object on every render: the
- * draw effect keys on it, and a fresh one would tear the scene down and build
- * it again — which makes molstar frame the model afresh and loses the camera a
- * link had just restored.
+ * draw effect keys on it, and a fresh one would run it again for nothing.
  */
 export interface SharedCamera {
   /**