diff --git a/src/extensions/rcsb/assembly-symmetry/behavior.ts b/src/extensions/rcsb/assembly-symmetry/behavior.ts
index bebc5e8688d058ceac415803d1fd22e34cf7d820..37e3ad3a54ed41a2da495be823b340befa6c995a 100644
--- a/src/extensions/rcsb/assembly-symmetry/behavior.ts
+++ b/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 } };
}
diff --git a/src/extensions/rcsb/validation-report/behavior.ts b/src/extensions/rcsb/validation-report/behavior.ts
index 638dadbdf255a13c483fb23e0bb592796ab0a453..c995d197ef6ad04cbca8324e21f201ca195475d3 100644
--- a/src/extensions/rcsb/validation-report/behavior.ts
+++ b/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);
}
});
\ No newline at end of file
diff --git a/src/mol-plugin-state/builder/structure/representation-preset.ts b/src/mol-plugin-state/builder/structure/representation-preset.ts
index 88b2d561afca51f812ce544732f9507ec88da00f..da30873886040156661bbea378e957ac879b719c 100644
--- a/src/mol-plugin-state/builder/structure/representation-preset.ts
+++ b/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 };
}
});
diff --git a/src/mol-plugin/behavior/dynamic/selection/structure-focus-representation.ts b/src/mol-plugin/behavior/dynamic/selection/structure-focus-representation.ts
index 0e733fc8ff1c71552a54438ae0c10e29c3597943..05115266582d35080ed58d8e51ec2a34529d6f4c 100644
--- a/src/mol-plugin/behavior/dynamic/selection/structure-focus-representation.ts
+++ b/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>) {