update focus color in repr presets

src/extensions/rcsb/assembly-symmetry/behavior.ts

@@ -181,8 +181,8 @@ export const AssemblySymmetryPreset = StructureRepresentationPresetProvider({
         }
 
         const assemblySymmetry = await tryCreateAssemblySymmetry(plugin, structureCell);
-        const globalThemeName = assemblySymmetry.isOk ? Tag.Cluster as any : undefined;
-        const preset = await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName }, plugin);
+        const colorTheme = assemblySymmetry.isOk ? Tag.Cluster as any : undefined;
+        const preset = await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme, focusThemeName: colorTheme }, plugin);
 
         return { components: preset.components, representations: { ...preset.representations, assemblySymmetry } };
     }

src/extensions/rcsb/validation-report/behavior.ts

@@ -309,15 +309,15 @@ export const ValidationReportGeometryQualityPreset = StructureRepresentationPres
     params: () => StructureRepresentationPresetProvider.CommonParams,
     async apply(ref, params, plugin) {
         const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
-        const model = structureCell?.obj?.data.model;
-        if (!structureCell || !model) return {};
+        const structure = structureCell?.obj?.data;
+        if (!structureCell || !structure) return {};
 
         await plugin.runTask(Task.create('Validation Report', async runtime => {
-            await ValidationReportProvider.attach({ runtime, assetManager: plugin.managers.asset }, model);
+            await ValidationReportProvider.attach({ runtime, assetManager: plugin.managers.asset }, structure.models[0]);
         }));
 
         const colorTheme = GeometryQualityColorThemeProvider.name as any;
-        const { components, representations } = await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme }, plugin);
+        const { components, representations } = await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme, focusThemeName: colorTheme }, plugin);
 
         const clashes = await plugin.builders.structure.tryCreateComponentFromExpression(structureCell, hasClash.expression, 'clashes', { label: 'Clashes' });
 
@@ -329,6 +329,7 @@ export const ValidationReportGeometryQualityPreset = StructureRepresentationPres
         }
 
         await update.commit({ revertOnError: true });
+
         return { components: { ...components, clashes }, representations: { ...representations, clashesBallAndStick, clashesRepr } };
     }
 });
@@ -345,15 +346,15 @@ export const ValidationReportDensityFitPreset = StructureRepresentationPresetPro
     params: () => StructureRepresentationPresetProvider.CommonParams,
     async apply(ref, params, plugin) {
         const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
-        const model = structureCell?.obj?.data.model;
-        if (!structureCell || !model) return {};
+        const structure = structureCell?.obj?.data;
+        if (!structureCell || !structure) return {};
 
         await plugin.runTask(Task.create('Validation Report', async runtime => {
-            await ValidationReportProvider.attach({ runtime, assetManager: plugin.managers.asset }, model);
+            await ValidationReportProvider.attach({ runtime, assetManager: plugin.managers.asset }, structure.models[0]);
         }));
 
         const colorTheme = DensityFitColorThemeProvider.name as any;
-        return await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme }, plugin);
+        return await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme, focusThemeName: colorTheme }, plugin);
     }
 });
 
@@ -369,14 +370,14 @@ export const ValidationReportRandomCoilIndexPreset = StructureRepresentationPres
     params: () => StructureRepresentationPresetProvider.CommonParams,
     async apply(ref, params, plugin) {
         const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
-        const model = structureCell?.obj?.data.model;
-        if (!structureCell || !model) return {};
+        const structure = structureCell?.obj?.data;
+        if (!structureCell || !structure) return {};
 
         await plugin.runTask(Task.create('Validation Report', async runtime => {
-            await ValidationReportProvider.attach({ runtime, assetManager: plugin.managers.asset }, model);
+            await ValidationReportProvider.attach({ runtime, assetManager: plugin.managers.asset }, structure.models[0]);
         }));
 
         const colorTheme = RandomCoilIndexColorThemeProvider.name as any;
-        return await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme }, plugin);
+        return await PresetStructureRepresentations.auto.apply(ref, { ...params, globalThemeName: colorTheme, focusThemeName: colorTheme }, plugin);
     }
 });

src/mol-plugin-state/builder/structure/representation-preset.ts

@@ -16,6 +16,8 @@ import { StateObjectRef, StateObjectSelector } from '../../../mol-state';
 import { StaticStructureComponentType } from '../../helpers/structure-component';
 import { StructureSelectionQueries as Q } from '../../helpers/structure-selection-query';
 import { PluginConfig } from '../../../mol-plugin/config';
+import { StructureFocusRepresentation } from '../../../mol-plugin/behavior/dynamic/selection/structure-focus-representation';
+import { createStructureColorThemeParams } from '../../helpers/structure-representation-params';
 
 export interface StructureRepresentationPresetProvider<P = any, S extends _Result = _Result> extends PresetProvider<PluginStateObject.Molecule.Structure, P, S> { }
 export function StructureRepresentationPresetProvider<P, S extends _Result>(repr: StructureRepresentationPresetProvider<P, S>) { return repr; }
@@ -30,7 +32,8 @@ export namespace StructureRepresentationPresetProvider {
     export const CommonParams = {
         ignoreHydrogens: PD.Optional(PD.Boolean(false)),
         quality: PD.Optional(PD.Select<VisualQuality>('auto', VisualQualityOptions)),
-        globalThemeName: PD.Optional(PD.Text<ColorTheme.BuiltIn>(''))
+        globalThemeName: PD.Optional(PD.Text<ColorTheme.BuiltIn>('')),
+        focusThemeName: PD.Optional(PD.Text<ColorTheme.BuiltIn>(''))
     };
     export type CommonParams = PD.ValuesFor<typeof CommonParams>
 
@@ -47,6 +50,14 @@ export namespace StructureRepresentationPresetProvider {
 
         return { update, builder, color, typeParams };
     }
+
+    export function updateFocusRepr(plugin: PluginContext, structure: Structure, themeName?: ColorTheme.BuiltIn) {
+        return plugin.state.updateBehavior(StructureFocusRepresentation, p => {
+            const c = createStructureColorThemeParams(plugin, structure, 'ball-and-stick', themeName);
+            p.surroundingsParams.colorTheme = c;
+            p.targetParams.colorTheme = c;
+        });
+    }
 }
 
 type _Result = StructureRepresentationPresetProvider.Result
@@ -54,6 +65,7 @@ type _Result = StructureRepresentationPresetProvider.Result
 const CommonParams = StructureRepresentationPresetProvider.CommonParams;
 type CommonParams = StructureRepresentationPresetProvider.CommonParams
 const reprBuilder = StructureRepresentationPresetProvider.reprBuilder;
+const updateFocusRepr = StructureRepresentationPresetProvider.updateFocusRepr;
 
 const auto = StructureRepresentationPresetProvider({
     id: 'preset-structure-representation-auto',
@@ -131,6 +143,7 @@ const polymerAndLigand = StructureRepresentationPresetProvider({
         };
 
         await update.commit({ revertOnError: false });
+        await updateFocusRepr(plugin, structure, params.focusThemeName);
 
         return { components, representations };
     }
@@ -168,6 +181,8 @@ const proteinAndNucleic = StructureRepresentationPresetProvider({
         };
 
         await update.commit({ revertOnError: true });
+        await updateFocusRepr(plugin, structure, params.focusThemeName);
+
         return { components, representations };
     }
 });
@@ -215,6 +230,8 @@ const coarseSurface = StructureRepresentationPresetProvider({
         };
 
         await update.commit({ revertOnError: true });
+        await updateFocusRepr(plugin, structure, params.focusThemeName);
+
         return { components, representations };
     }
 });
@@ -245,6 +262,8 @@ const polymerCartoon = StructureRepresentationPresetProvider({
         };
 
         await update.commit({ revertOnError: true });
+        await updateFocusRepr(plugin, structure, params.focusThemeName);
+
         return { components, representations };
     }
 });

src/mol-plugin/behavior/dynamic/selection/structure-focus-representation.ts

@@ -29,7 +29,7 @@ const StructureFocusRepresentationParams = (plugin: PluginContext) => {
         }),
         surroundingsParams: PD.Group(reprParams, {
             label: 'Surroundings',
-            customDefault: createStructureRepresentationParams(plugin, void 0, { type: 'ball-and-stick', color: 'element-symbol', size: 'physical', typeParams: { sizeFactor: 0.16 } })
+            customDefault: createStructureRepresentationParams(plugin, void 0, { type: 'ball-and-stick', size: 'physical', typeParams: { sizeFactor: 0.16 } })
         }),
         nciParams: PD.Group(reprParams, {
             label: 'Non-covalent Int.',
@@ -57,7 +57,7 @@ export enum StructureFocusRepresentationTags {
 
 const TagSet: Set<StructureFocusRepresentationTags> = new Set([StructureFocusRepresentationTags.TargetSel, StructureFocusRepresentationTags.TargetRepr, StructureFocusRepresentationTags.SurrSel, StructureFocusRepresentationTags.SurrRepr, StructureFocusRepresentationTags.SurrNciRepr]);
 
-export class StructureFocusRepresentationBehavior extends PluginBehavior.WithSubscribers<StructureFocusRepresentationProps> {
+class StructureFocusRepresentationBehavior extends PluginBehavior.WithSubscribers<StructureFocusRepresentationProps> {
     private get surrLabel() { return `[Focus] Surroundings (${this.params.expandRadius} Å)`; }
 
     private ensureShape(cell: StateObjectCell<PluginStateObject.Molecule.Structure>) {