molstar 2.3.9 → 3.0.0-dev.2

package/lib/mol-repr/volume/isosurface.d.ts

@@ -45,10 +45,10 @@ export declare function IsosurfaceVisual(materialId: number, volume: Volume, pro
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -94,6 +94,10 @@ export declare function IsosurfaceVisual(materialId: number, volume: Volume, pro
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 }>;
 export declare function eachIsosurface(loci: Loci, volume: Volume, props: VolumeIsosurfaceProps, apply: (interval: Interval) => boolean): boolean;
 export declare function createVolumeIsosurfaceMesh(ctx: VisualContext, volume: Volume, theme: Theme, props: VolumeIsosurfaceProps, mesh?: Mesh): Promise<Mesh>;
@@ -101,10 +105,10 @@ export declare const IsosurfaceMeshParams: {
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -150,6 +154,10 @@ export declare const IsosurfaceMeshParams: {
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 };
 export declare type IsosurfaceMeshParams = typeof IsosurfaceMeshParams;
 export declare function IsosurfaceMeshVisual(materialId: number): VolumeVisual<IsosurfaceMeshParams>;
@@ -159,10 +167,10 @@ export declare const IsosurfaceWireframeParams: {
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -204,6 +212,10 @@ export declare const IsosurfaceWireframeParams: {
     }>;
     lineSizeAttenuation: PD.BooleanParam;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 };
 export declare type IsosurfaceWireframeParams = typeof IsosurfaceWireframeParams;
 export declare function IsosurfaceWireframeVisual(materialId: number): VolumeVisual<IsosurfaceWireframeParams>;
@@ -212,10 +224,10 @@ export declare const IsosurfaceParams: {
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -257,6 +269,10 @@ export declare const IsosurfaceParams: {
     }>;
     lineSizeAttenuation: PD.BooleanParam;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
     tryUseGpu: PD.BooleanParam;
     doubleSided: PD.BooleanParam;
     flipSided: PD.BooleanParam;
@@ -270,10 +286,10 @@ export declare function getIsosurfaceParams(ctx: ThemeRegistryContext, volume: V
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -315,6 +331,10 @@ export declare function getIsosurfaceParams(ctx: ThemeRegistryContext, volume: V
     }>;
     lineSizeAttenuation: PD.BooleanParam;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
     tryUseGpu: PD.BooleanParam;
     doubleSided: PD.BooleanParam;
     flipSided: PD.BooleanParam;
@@ -329,10 +349,10 @@ export declare const IsosurfaceRepresentationProvider: VolumeRepresentationProvi
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -374,6 +394,10 @@ export declare const IsosurfaceRepresentationProvider: VolumeRepresentationProvi
     }>;
     lineSizeAttenuation: PD.BooleanParam;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
     tryUseGpu: PD.BooleanParam;
     doubleSided: PD.BooleanParam;
     flipSided: PD.BooleanParam;

package/lib/mol-repr/volume/registry.d.ts

@@ -15,10 +15,10 @@ export declare namespace VolumeRepresentationRegistry {
             quality: {
                 isEssential: boolean;
                 type: "select";
-                options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+                options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
                 cycle?: boolean | undefined;
                 isOptional?: boolean | undefined;
-                defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+                defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
                 label?: string | undefined;
                 description?: string | undefined;
                 legend?: import("../../mol-util/legend").Legend | undefined;
@@ -60,6 +60,10 @@ export declare namespace VolumeRepresentationRegistry {
             }>;
             lineSizeAttenuation: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
             alpha: import("../../mol-util/param-definition").ParamDefinition.Numeric;
+            material: import("../../mol-util/param-definition").ParamDefinition.Group<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
+                metalness: number;
+                roughness: number;
+            }>>;
             tryUseGpu: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
             doubleSided: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
             flipSided: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
@@ -71,10 +75,10 @@ export declare namespace VolumeRepresentationRegistry {
             quality: {
                 isEssential: boolean;
                 type: "select";
-                options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+                options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
                 cycle?: boolean | undefined;
                 isOptional?: boolean | undefined;
-                defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+                defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
                 label?: string | undefined;
                 description?: string | undefined;
                 legend?: import("../../mol-util/legend").Legend | undefined;
@@ -114,17 +118,21 @@ export declare namespace VolumeRepresentationRegistry {
                     relativeValue: number;
                 }>, number>;
             }>;
-            interpolation: import("../../mol-util/param-definition").ParamDefinition.Select<"nearest" | "catmulrom" | "mitchell" | "bspline">;
+            interpolation: import("../../mol-util/param-definition").ParamDefinition.Select<"nearest" | "bspline" | "catmulrom" | "mitchell">;
             alpha: import("../../mol-util/param-definition").ParamDefinition.Numeric;
+            material: import("../../mol-util/param-definition").ParamDefinition.Group<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
+                metalness: number;
+                roughness: number;
+            }>>;
         }, "slice">;
         'direct-volume': import("./representation").VolumeRepresentationProvider<{
             quality: {
                 isEssential: boolean;
                 type: "select";
-                options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+                options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
                 cycle?: boolean | undefined;
                 isOptional?: boolean | undefined;
-                defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+                defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
                 label?: string | undefined;
                 description?: string | undefined;
                 legend?: import("../../mol-util/legend").Legend | undefined;
@@ -165,6 +173,10 @@ export declare namespace VolumeRepresentationRegistry {
             stepsPerCell: import("../../mol-util/param-definition").ParamDefinition.Numeric;
             jumpLength: import("../../mol-util/param-definition").ParamDefinition.Numeric;
             alpha: import("../../mol-util/param-definition").ParamDefinition.Numeric;
+            material: import("../../mol-util/param-definition").ParamDefinition.Group<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
+                metalness: number;
+                roughness: number;
+            }>>;
         }, "direct-volume">;
     };
     type _BuiltIn = typeof BuiltIn;

package/lib/mol-repr/volume/representation.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -37,7 +37,11 @@ export declare type VolumeRepresentationProvider<P extends VolumeParams, Id exte
 export declare function VolumeRepresentationProvider<P extends VolumeParams, Id extends string>(p: VolumeRepresentationProvider<P, Id>): VolumeRepresentationProvider<P, Id>;
 export declare const VolumeParams: {
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 };
 export declare type VolumeParams = typeof VolumeParams;
 export declare function VolumeRepresentation<P extends VolumeParams>(label: string, ctx: RepresentationContext, getParams: RepresentationParamsGetter<Volume, P>, visualCtor: (materialId: number, volume: Volume, props: PD.Values<P>, webgl?: WebGLContext) => VolumeVisual<P>, getLoci: (volume: Volume, props: PD.Values<P>) => Loci): VolumeRepresentation<P>;

package/lib/mol-repr/volume/representation.js

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -42,6 +42,7 @@ export function VolumeVisual(builder, materialId) {
     var currentTheme = Theme.createEmpty();
     var currentVolume;
     var geometry;
+    var geometryVersion = -1;
     var locationIt;
     var positionIt;
     function prepareUpdate(theme, props, volume) {
@@ -113,8 +114,10 @@ export function VolumeVisual(builder, materialId) {
         currentProps = newProps;
         currentTheme = newTheme;
         currentVolume = newVolume;
-        if (newGeometry)
+        if (newGeometry) {
             geometry = newGeometry;
+            geometryVersion += 1;
+        }
     }
     function lociApply(loci, apply) {
         if (isEveryLoci(loci)) {
@@ -127,6 +130,7 @@ export function VolumeVisual(builder, materialId) {
     return {
         get groupCount() { return locationIt ? locationIt.count : 0; },
         get renderObject() { return renderObject; },
+        get geometryVersion() { return geometryVersion; },
         createOrUpdate: function (ctx, theme, props, volume) {
             if (props === void 0) { props = {}; }
             return __awaiter(this, void 0, void 0, function () {
@@ -171,6 +175,9 @@ export function VolumeVisual(builder, materialId) {
         setTransparency: function (transparency) {
             return Visual.setTransparency(renderObject, transparency, lociApply, true);
         },
+        setSubstance: function (substance) {
+            return Visual.setSubstance(renderObject, substance, lociApply, true);
+        },
         setClipping: function (clipping) {
             return Visual.setClipping(renderObject, clipping, lociApply, true);
         },
@@ -191,6 +198,7 @@ export function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci)
     var version = 0;
     var webgl = ctx.webgl;
     var updated = new Subject();
+    var geometryState = new Representation.GeometryState();
     var materialId = getNextMaterialId();
     var renderObjects = [];
     var _state = Representation.createState();
@@ -232,8 +240,11 @@ export function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci)
                     case 2:
                         // update list of renderObjects
                         renderObjects.length = 0;
-                        if (visual && visual.renderObject)
+                        if (visual && visual.renderObject) {
                             renderObjects.push(visual.renderObject);
+                            geometryState.add(visual.renderObject.id, visual.geometryVersion);
+                        }
+                        geometryState.snapshot();
                         // increment version
                         updated.next(version++);
                         return [2 /*return*/];
@@ -275,6 +286,7 @@ export function VolumeRepresentation(label, ctx, getParams, visualCtor, getLoci)
         get params() { return _params; },
         get state() { return _state; },
         get theme() { return _theme; },
+        get geometryVersion() { return geometryState.version; },
         renderObjects: renderObjects,
         updated: updated,
         createOrUpdate: createOrUpdate,

package/lib/mol-repr/volume/slice.d.ts

@@ -15,10 +15,10 @@ export declare const SliceParams: {
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -58,18 +58,22 @@ export declare const SliceParams: {
             relativeValue: number;
         }>, number>;
     }>;
-    interpolation: PD.Select<"nearest" | "catmulrom" | "mitchell" | "bspline">;
+    interpolation: PD.Select<"nearest" | "bspline" | "catmulrom" | "mitchell">;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 };
 export declare type SliceParams = typeof SliceParams;
 export declare function getSliceParams(ctx: ThemeRegistryContext, volume: Volume): {
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -109,8 +113,12 @@ export declare function getSliceParams(ctx: ThemeRegistryContext, volume: Volume
             relativeValue: number;
         }>, number>;
     }>;
-    interpolation: PD.Select<"nearest" | "catmulrom" | "mitchell" | "bspline">;
+    interpolation: PD.Select<"nearest" | "bspline" | "catmulrom" | "mitchell">;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 };
 export declare function SliceVisual(materialId: number): VolumeVisual<SliceParams>;
 export declare function SliceRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Volume, SliceParams>): VolumeRepresentation<SliceParams>;
@@ -118,10 +126,10 @@ export declare const SliceRepresentationProvider: VolumeRepresentationProvider<{
     quality: {
         isEssential: boolean;
         type: "select";
-        options: readonly (readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string] | readonly ["custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest", string, string | undefined])[];
+        options: readonly (readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string] | readonly ["auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest", string, string | undefined])[];
         cycle?: boolean | undefined;
         isOptional?: boolean | undefined;
-        defaultValue: "custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest";
+        defaultValue: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
         label?: string | undefined;
         description?: string | undefined;
         legend?: import("../../mol-util/legend").Legend | undefined;
@@ -161,6 +169,10 @@ export declare const SliceRepresentationProvider: VolumeRepresentationProvider<{
             relativeValue: number;
         }>, number>;
     }>;
-    interpolation: PD.Select<"nearest" | "catmulrom" | "mitchell" | "bspline">;
+    interpolation: PD.Select<"nearest" | "bspline" | "catmulrom" | "mitchell">;
     alpha: PD.Numeric;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
 }, "slice">;

package/lib/mol-script/language/builder.d.ts

@@ -10,6 +10,7 @@ export declare namespace MolScriptBuilder {
         '@header': string;
         type: {
             '@header': string;
+            /** atom macromolecular property set */
             bool: MSymbol<import("./symbol").Arguments<import("./symbol").Arguments.PropTypes<{
                 0: import("./symbol").Argument<import("./type").Type.AnyValue>;
             }>>, import("./type").Type.OneOf<boolean>>;

package/lib/mol-state/state.js

@@ -18,7 +18,6 @@ import { now, formatTimespan } from '../mol-util/now';
 import { ParamDefinition } from '../mol-util/param-definition';
 import { StateTreeSpine } from './tree/spine';
 import { AsyncQueue } from '../mol-util/async-queue';
-import { isProductionMode } from '../mol-util/debug';
 import { arraySetAdd, arraySetRemove } from '../mol-util/array';
 import { UniqueArray } from '../mol-data/generic';
 import { assignIfUndefined } from '../mol-util/object';
@@ -258,15 +257,19 @@ var State = /** @class */ (function () {
                         return [4 /*yield*/, this.updateTree(snapshot).runInContext(ctx)];
                     case 6:
                         _a.sent();
-                        this.events.log.next(LogEntry.error('' + e_1));
+                        this.events.log.next(LogEntry.error('Error during state transaction, reverting'));
                         _a.label = 7;
                     case 7:
                         if (isNested) {
                             this.inTransactionError = true;
                             throw e_1;
                         }
-                        if (options === null || options === void 0 ? void 0 : options.rethrowErrors)
+                        if (options === null || options === void 0 ? void 0 : options.rethrowErrors) {
                             throw e_1;
+                        }
+                        else {
+                            console.error(e_1);
+                        }
                         return [3 /*break*/, 9];
                     case 8:
                         if (!isNested) {
@@ -816,8 +819,7 @@ function updateSubtree(ctx, root) {
                     if (!ctx.hadError)
                         ctx.newCurrent = root;
                     doError(ctx, root, e_2, false);
-                    if (!isProductionMode)
-                        console.error(e_2);
+                    console.error(e_2);
                     return [2 /*return*/];
                 case 4:
                     children = ctx.tree.children.get(root).values();

package/lib/mol-task/execution/observable.js

@@ -8,7 +8,6 @@ import { Task } from '../task';
 import { now } from '../../mol-util/now';
 import { Scheduler } from '../util/scheduler';
 import { UserTiming } from '../util/user-timing';
-import { isDebugMode } from '../../mol-util/debug';
 export function ExecuteObservable(task, observer, updateRateMs) {
     if (updateRateMs === void 0) { updateRateMs = 250; }
     var info = ProgressInfo(task, observer, updateRateMs);
@@ -99,10 +98,7 @@ function execute(task, ctx) {
                         task.onAbort();
                     }
                     _a.label = 6;
-                case 6:
-                    if (isDebugMode)
-                        console.error(e_1);
-                    throw e_1;
+                case 6: throw e_1;
                 case 7: return [2 /*return*/];
             }
         });

package/lib/mol-theme/overpaint.js

@@ -67,7 +67,7 @@ function Overpaint(layers) {
         var layers = [];
         map.forEach(function (loci, colorOrClear) {
             var clear = colorOrClear === -1;
-            var color = colorOrClear === -1 ? Color(0) : colorOrClear;
+            var color = clear ? Color(0) : colorOrClear;
             layers.push({ loci: loci, color: color, clear: clear });
         });
         return { layers: layers };

package/lib/mol-theme/substance.d.ts

@@ -0,0 +1,43 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+import { Structure, StructureElement } from '../mol-model/structure';
+import { Script } from '../mol-script/script';
+import { Material } from '../mol-util/material';
+export { Substance };
+declare type Substance = {
+    readonly layers: ReadonlyArray<Substance.Layer>;
+};
+declare function Substance(layers: ReadonlyArray<Substance.Layer>): Substance;
+declare namespace Substance {
+    type Layer = {
+        readonly loci: StructureElement.Loci;
+        readonly material: Material;
+        readonly clear: boolean;
+    };
+    const Empty: Substance;
+    function areEqual(sA: Substance, sB: Substance): boolean;
+    function isEmpty(overpaint: Substance): boolean;
+    function remap(substance: Substance, structure: Structure): {
+        layers: Layer[];
+    };
+    function merge(substance: Substance): Substance;
+    function filter(substance: Substance, filter: Structure): Substance;
+    type ScriptLayer = {
+        script: Script;
+        material: Material;
+        clear: boolean;
+    };
+    function ofScript(scriptLayers: ScriptLayer[], structure: Structure): Substance;
+    type BundleLayer = {
+        bundle: StructureElement.Bundle;
+        material: Material;
+        clear: boolean;
+    };
+    function ofBundle(bundleLayers: BundleLayer[], structure: Structure): Substance;
+    function toBundle(overpaint: Substance): {
+        layers: BundleLayer[];
+    };
+}