tweaks/fixes

src/mol-gl/scene.ts

@@ -317,21 +317,21 @@ namespace Scene {
             get markerAverage() {
                 if (markerAverageDirty) {
                     markerAverage = calculateMarkerAverage();
-                    markerAverageDirty = true;
+                    markerAverageDirty = false;
                 }
                 return markerAverage;
             },
             get opacityAverage() {
                 if (opacityAverageDirty) {
                     opacityAverage = calculateOpacityAverage();
-                    opacityAverageDirty = true;
+                    opacityAverageDirty = false;
                 }
                 return opacityAverage;
             },
             get hasOpaque() {
                 if (hasOpaqueDirty) {
                     hasOpaque = calculateHasOpaque();
-                    hasOpaqueDirty = true;
+                    hasOpaqueDirty = false;
                 }
                 return hasOpaque;
             },

src/mol-math/geometry/symmetry-operator.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author David Sehnal <david.sehnal@gmail.com>
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -177,15 +177,15 @@ namespace SymmetryOperator {
 
     export interface Coordinates { x: ArrayLike<number>, y: ArrayLike<number>, z: ArrayLike<number> }
 
-    export function createMapping<T extends number>(operator: SymmetryOperator, coords: Coordinates, radius: ((index: T) => number)): ArrayMapping<T> {
+    function _createMapping<T extends number>(operator: SymmetryOperator, coords: Coordinates, radius: ((index: T) => number)): ArrayMapping<T> {
         const invariantPosition = createCoordinateMapper(SymmetryOperator.Default, coords);
         const position = operator.isIdentity ? invariantPosition : createCoordinateMapper(operator, coords);
         const { x, y, z } = createProjections(operator, coords);
         return { operator, coordinates: coords, invariantPosition, position, x, y, z, r: radius };
     }
 
-    export function createMappingZeroRadius<T extends number>(operator: SymmetryOperator, coords: Coordinates): ArrayMapping<T> {
-        return createMapping(operator, coords, _zeroRadius);
+    export function createMapping<T extends number>(operator: SymmetryOperator, coords: Coordinates, radius: ((index: T) => number) = _zeroRadius) {
+        return _createMapping(operator, coords, radius);
     }
 
     export function createCoordinateMapper<T extends number>(t: SymmetryOperator, coords: Coordinates): CoordinateMapper<T> {

src/mol-model/structure/structure/unit.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author David Sehnal <david.sehnal@gmail.com>
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -46,7 +46,7 @@ namespace Unit {
 
     export function create<K extends Kind>(id: number, invariantId: number, chainGroupId: number, traits: Traits, kind: Kind, model: Model, operator: SymmetryOperator, elements: StructureElement.Set, props?: K extends Kind.Atomic ? AtomicProperties : CoarseProperties): Unit {
         switch (kind) {
-            case Kind.Atomic: return new Atomic(id, invariantId, chainGroupId, traits, model, elements, SymmetryOperator.createMappingZeroRadius(operator, model.atomicConformation), props ?? AtomicProperties());
+            case Kind.Atomic: return new Atomic(id, invariantId, chainGroupId, traits, model, elements, SymmetryOperator.createMapping(operator, model.atomicConformation), props ?? AtomicProperties());
             case Kind.Spheres: return createCoarse(id, invariantId, chainGroupId, traits, model, Kind.Spheres, elements, SymmetryOperator.createMapping(operator, model.coarseConformation.spheres, getSphereRadiusFunc(model)), props ?? CoarseProperties());
             case Kind.Gaussians: return createCoarse(id, invariantId, chainGroupId, traits, model, Kind.Gaussians, elements, SymmetryOperator.createMapping(operator, model.coarseConformation.gaussians, getGaussianRadiusFunc(model)), props ?? CoarseProperties());
         }
@@ -247,7 +247,7 @@ namespace Unit {
             }
 
             const conformation = (this.model.atomicConformation !== model.atomicConformation || operator !== this.conformation.operator)
-                ? SymmetryOperator.createMappingZeroRadius(operator, model.atomicConformation)
+                ? SymmetryOperator.createMapping(operator, model.atomicConformation)
                 : this.conformation;
             return new Atomic(this.id, this.invariantId, this.chainGroupId, this.traits, model, this.elements, conformation, props);
         }
@@ -408,7 +408,7 @@ namespace Unit {
             }
 
             const conformation = coarseConformation !== modelCoarseConformation
-                ? SymmetryOperator.createMappingZeroRadius(this.conformation.operator, modelCoarseConformation)
+                ? SymmetryOperator.createMapping(this.conformation.operator, modelCoarseConformation)
                 : this.conformation;
             return new Coarse(this.id, this.invariantId, this.chainGroupId, this.traits, model, this.kind, this.elements, conformation, props) as Unit.Spheres | Unit.Gaussians; // TODO get rid of casting
         }