Merge branch 'master' of https://github.com/molstar/molstar into gpu-grid

src/mol-canvas3d/canvas3d.ts

@@ -150,9 +150,10 @@ namespace Canvas3D {
     export interface ClickEvent { current: Representation.Loci, buttons: ButtonsType, button: ButtonsType.Flag, modifiers: ModifiersKeys, page?: Vec2, position?: Vec3 }
 
     export function fromCanvas(canvas: HTMLCanvasElement, props: Partial<Canvas3DProps> = {}, attribs: Partial<{ antialias: boolean, pixelScale: number, pickScale: number, enableWboit: boolean }> = {}) {
+        const antialias = (attribs.antialias ?? true) && !attribs.enableWboit;
         const gl = getGLContext(canvas, {
             alpha: true,
-            antialias: (attribs.antialias ?? true) && !attribs.enableWboit,
+            antialias,
             depth: true,
             preserveDrawingBuffer: true,
             premultipliedAlpha: true,
@@ -197,6 +198,14 @@ namespace Canvas3D {
             if (isDebugMode) console.log('context restored');
         }, false);
 
+        // disable postprocessing anti-aliasing if canvas anti-aliasing is enabled
+        if (antialias && !props.postprocessing?.antialiasing) {
+            props.postprocessing = {
+                ...DefaultCanvas3DParams.postprocessing,
+                antialiasing: { name: 'off', params: {} }
+            };
+        }
+
         return create(webgl, input, passes, props, { pixelScale });
     }
 

src/mol-canvas3d/passes/multi-sample.ts

@@ -193,7 +193,7 @@ export class MultiSamplePass {
 
         const { x, y, width, height } = camera.viewport;
         const sampleWeight = 1.0 / offsetList.length;
-        const postprocessingEnabled = PostprocessingPass.isEnabled(props.postprocessing) || props.postprocessing.antialiasing.name === 'on';
+        const postprocessingEnabled = PostprocessingPass.isEnabled(props.postprocessing);
 
         if (sampleIndex === -1) {
             drawPass.render(renderer, camera, scene, helper, false, transparentBackground);

src/mol-canvas3d/passes/postprocessing.ts

@@ -110,7 +110,7 @@ export type PostprocessingProps = PD.Values<typeof PostprocessingParams>
 
 export class PostprocessingPass {
     static isEnabled(props: PostprocessingProps) {
-        return props.occlusion.name === 'on' || props.outline.name === 'on';
+        return props.occlusion.name === 'on' || props.outline.name === 'on' || props.antialiasing.name === 'on';
     }
 
     readonly target: RenderTarget
@@ -146,7 +146,7 @@ export class PostprocessingPass {
     private updateState(camera: ICamera) {
         const { gl, state } = this.webgl;
 
-        state.disable(gl.SCISSOR_TEST);
+        state.enable(gl.SCISSOR_TEST);
         state.disable(gl.BLEND);
         state.disable(gl.DEPTH_TEST);
         state.depthMask(false);

src/mol-plugin-state/transforms/representation.ts

@@ -131,7 +131,6 @@ const StructureRepresentation3D = PluginStateTransform.BuiltIn({
             await Theme.ensureDependencies(propertyCtx, plugin.representation.structure.themes, { structure: a.data }, params);
             repr.setTheme(Theme.create(plugin.representation.structure.themes, { structure: a.data }, params));
 
-            // TODO set initial state, repr.setState({})
             const props = params.type.params || {};
             await repr.createOrUpdate(props, a.data).runInContext(ctx);
             return new SO.Molecule.Structure.Representation3D({ repr, source: a }, { label: provider.label });
@@ -205,6 +204,8 @@ const UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
     update({ a, b, newParams, oldParams }) {
         const structure = b.data.info as Structure;
         if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
         const unitTransforms = b.data.state.unitTransforms!;
         unwindStructureAssembly(structure, unitTransforms, newParams.t);
@@ -240,6 +241,8 @@ const ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
     update({ a, b, newParams, oldParams }) {
         const structure = a.data.source.data;
         if (b.data.info !== structure.root) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
         const unitTransforms = b.data.state.unitTransforms!;
         explodeStructure(structure.root, unitTransforms, newParams.t);
@@ -287,6 +290,8 @@ const OverpaintStructureRepresentation3DFromScript = PluginStateTransform.BuiltI
         const oldStructure = b.data.info as Structure;
         const newStructure = a.data.source.data;
         if (newStructure !== oldStructure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         const oldOverpaint = b.data.state.overpaint!;
         const newOverpaint = Overpaint.ofScript(newParams.layers, newStructure);
         if (Overpaint.areEqual(oldOverpaint, newOverpaint)) return StateTransformer.UpdateResult.Unchanged;
@@ -337,6 +342,8 @@ const OverpaintStructureRepresentation3DFromBundle = PluginStateTransform.BuiltI
         const oldStructure = b.data.info as Structure;
         const newStructure = a.data.source.data;
         if (newStructure !== oldStructure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         const oldOverpaint = b.data.state.overpaint!;
         const newOverpaint = Overpaint.ofBundle(newParams.layers, newStructure);
         if (Overpaint.areEqual(oldOverpaint, newOverpaint)) return StateTransformer.UpdateResult.Unchanged;
@@ -383,6 +390,8 @@ const TransparencyStructureRepresentation3DFromScript = PluginStateTransform.Bui
     update({ a, b, newParams, oldParams }) {
         const structure = b.data.info as Structure;
         if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         const oldTransparency = b.data.state.transparency!;
         const newTransparency = Transparency.ofScript(newParams.layers, structure);
         if (Transparency.areEqual(oldTransparency, newTransparency)) return StateTransformer.UpdateResult.Unchanged;
@@ -430,6 +439,8 @@ const TransparencyStructureRepresentation3DFromBundle = PluginStateTransform.Bui
     update({ a, b, newParams, oldParams }) {
         const structure = b.data.info as Structure;
         if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         const oldTransparency = b.data.state.transparency!;
         const newTransparency = Transparency.ofBundle(newParams.layers, structure);
         if (Transparency.areEqual(oldTransparency, newTransparency)) return StateTransformer.UpdateResult.Unchanged;
@@ -476,6 +487,8 @@ const ClippingStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn
     update({ a, b, newParams, oldParams }) {
         const structure = b.data.info as Structure;
         if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         const oldClipping = b.data.state.clipping!;
         const newClipping = Clipping.ofScript(newParams.layers, structure);
         if (Clipping.areEqual(oldClipping, newClipping)) return StateTransformer.UpdateResult.Unchanged;
@@ -523,6 +536,8 @@ const ClippingStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn
     update({ a, b, newParams, oldParams }) {
         const structure = b.data.info as Structure;
         if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
+        if (a.data.repr !== b.data.source.data.repr) return StateTransformer.UpdateResult.Recreate;
+
         const oldClipping = b.data.state.clipping!;
         const newClipping = Clipping.ofBundle(newParams.layers, structure);
         if (Clipping.areEqual(oldClipping, newClipping)) return StateTransformer.UpdateResult.Unchanged;
@@ -619,7 +634,6 @@ const VolumeRepresentation3D = PluginStateTransform.BuiltIn({
     }
 })({
     canAutoUpdate({ oldParams, newParams }) {
-        // TODO: allow for small molecules
         return oldParams.type.name === newParams.type.name;
     },
     apply({ a, params }, plugin: PluginContext) {
@@ -627,10 +641,10 @@ const VolumeRepresentation3D = PluginStateTransform.BuiltIn({
             const propertyCtx = { runtime: ctx, assetManager: plugin.managers.asset };
             const provider = plugin.representation.volume.registry.get(params.type.name);
             if (provider.ensureCustomProperties) await provider.ensureCustomProperties.attach(propertyCtx, a.data);
-            const props = params.type.params || {};
             const repr = provider.factory({ webgl: plugin.canvas3d?.webgl, ...plugin.representation.volume.themes }, provider.getParams);
             repr.setTheme(Theme.create(plugin.representation.volume.themes, { volume: a.data }, params));
-            // TODO set initial state, repr.setState({})
+
+            const props = params.type.params || {};
             await repr.createOrUpdate(props, a.data).runInContext(ctx);
             return new SO.Volume.Representation3D({ repr, source: a }, { label: provider.label, description: VolumeRepresentation3DHelpers.getDescription(props) });
         });
@@ -673,7 +687,6 @@ const ShapeRepresentation3D = PluginStateTransform.BuiltIn({
         return Task.create('Shape Representation', async ctx => {
             const props = { ...PD.getDefaultValues(a.data.params), ...params };
             const repr = ShapeRepresentation(a.data.getShape, a.data.geometryUtils);
-            // TODO set initial state, repr.setState({})
             await repr.createOrUpdate(props, a.data.data).runInContext(ctx);
             return new SO.Shape.Representation3D({ repr, source: a }, { label: a.data.label });
         });

src/mol-plugin/behavior/dynamic/representation.ts

@@ -44,7 +44,7 @@ export const HighlightLoci = PluginBehavior.create({
     ctor: class extends PluginBehavior.Handler<HighlightLociProps> {
         private lociMarkProvider = (interactionLoci: Representation.Loci, action: MarkerAction) => {
             if (!this.ctx.canvas3d || !this.params.mark) return;
-            this.ctx.canvas3d.mark({ loci: interactionLoci.loci }, action);
+            this.ctx.canvas3d.mark(interactionLoci, action);
         }
         register() {
             this.subscribeObservable(this.ctx.behaviors.interaction.hover, ({ current, buttons, modifiers }) => {
@@ -57,12 +57,14 @@ export const HighlightLoci = PluginBehavior.create({
                 let matched = false;
 
                 if (Binding.match(this.params.bindings.hoverHighlightOnly, buttons, modifiers)) {
-                    this.ctx.managers.interactivity.lociHighlights.highlightOnly(current);
+                    // remove repr to highlight loci everywhere on hover
+                    this.ctx.managers.interactivity.lociHighlights.highlightOnly({ loci: current.loci });
                     matched = true;
                 }
 
                 if (Binding.match(this.params.bindings.hoverHighlightOnlyExtend, buttons, modifiers)) {
-                    this.ctx.managers.interactivity.lociHighlights.highlightOnlyExtend(current);
+                    // remove repr to highlight loci everywhere on hover
+                    this.ctx.managers.interactivity.lociHighlights.highlightOnlyExtend({ loci: current.loci });
                     matched = true;
                 }