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@@ -5,42 +5,50 @@
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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+import { PresetProvider } from '../preset-provider';
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+import { PluginStateObject } from '../../objects';
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+import { ParamDefinition as PD } from '../../../mol-util/param-definition';
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import { VisualQuality, VisualQualityOptions } from '../../../mol-geo/geometry/base';
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+import { ColorTheme } from '../../../mol-theme/color';
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import { Structure } from '../../../mol-model/structure';
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import { PluginContext } from '../../../mol-plugin/context';
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import { StateObjectRef } from '../../../mol-state';
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-import { ParamDefinition as PD } from '../../../mol-util/param-definition';
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import { StaticStructureComponentType } from '../../helpers/structure-component';
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import { StructureSelectionQueries as Q } from '../../helpers/structure-selection-query';
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-import { PluginStateObject } from '../../objects';
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-import { RepresentationProviderTags, StructureRepresentationProvider } from './provider';
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-import { ColorTheme } from '../../../mol-theme/color';
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-export const CommonStructureRepresentationParams = {
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+export interface StructureRepresentationPresetProvider<P = any, S = {}> extends PresetProvider<PluginStateObject.Molecule.Structure, P, S> { }
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+export namespace StructureRepresentationPresetProvider {
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+ export type Params<P extends StructureRepresentationPresetProvider> = P extends StructureRepresentationPresetProvider<infer T> ? T : never;
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+ export type State<P extends StructureRepresentationPresetProvider> = P extends StructureRepresentationPresetProvider<infer _, infer S> ? S : never;
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+}
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+export function StructureRepresentationPresetProvider<P, S>(repr: StructureRepresentationPresetProvider<P, S>) { return repr; }
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+
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+export const CommonStructureRepresentationPresetParams = {
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ignoreHydrogens: PD.Optional(PD.Boolean(false)),
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quality: PD.Optional(PD.Select<VisualQuality>('auto', VisualQualityOptions)),
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globalThemeName: PD.Optional(PD.Text<ColorTheme.BuiltIn>(''))
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}
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-export type CommonStructureRepresentationParams = PD.ValuesFor<typeof CommonStructureRepresentationParams>
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+export type CommonStructureRepresentationParams = PD.ValuesFor<typeof CommonStructureRepresentationPresetParams>
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-const auto = StructureRepresentationProvider({
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+const auto = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-auto',
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display: { name: 'Automatic', group: 'Preset' },
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- params: () => CommonStructureRepresentationParams,
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- apply(ctx, state, structureCell, params, plugin) {
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- const structure = structureCell.obj!.data;
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+ params: () => CommonStructureRepresentationPresetParams,
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+ apply(ref, params, plugin) {
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+ const structure = StateObjectRef.resolveAndCheck(plugin.state.data, ref)?.obj?.data;
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+ if (!structure) return { };
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const size = Structure.getSize(structure)
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switch (size) {
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case Structure.Size.Gigantic:
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case Structure.Size.Huge:
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- return coarseSurface.apply(ctx, state, structureCell, params, plugin);
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+ return coarseSurface.apply(ref, params, plugin);
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case Structure.Size.Large:
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- return polymerCartoon.apply(ctx, state, structureCell, params, plugin);
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+ return polymerCartoon.apply(ref, params, plugin);
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case Structure.Size.Medium:
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- return polymerAndLigand.apply(ctx, state, structureCell, params, plugin);
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+ return polymerAndLigand.apply(ref, params, plugin);
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case Structure.Size.Small:
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- return atomicDetail.apply(ctx, state, structureCell, params, plugin);
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+ return atomicDetail.apply(ref, params, plugin);
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}
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}
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});
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@@ -59,11 +67,14 @@ function reprBuilder(plugin: PluginContext, params: CommonStructureRepresentatio
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return { update, builder, color, typeParams };
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}
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-const polymerAndLigand = StructureRepresentationProvider({
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+const polymerAndLigand = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-polymer-and-ligand',
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display: { name: 'Polymer & Ligand', group: 'Preset' },
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- params: () => CommonStructureRepresentationParams,
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- async apply(ctx, state, structureCell, params, plugin) {
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+ params: () => CommonStructureRepresentationPresetParams,
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+ async apply(ref, params, plugin) {
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+ const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
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+ if (!structureCell) return {};
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+
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const components = {
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polymer: await presetStaticComponent(plugin, structureCell, 'polymer'),
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ligand: await presetStaticComponent(plugin, structureCell, 'ligand'),
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@@ -86,16 +97,19 @@ const polymerAndLigand = StructureRepresentationProvider({
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coarse: builder.buildRepresentation(update, components.coarse, { type: 'spacefill', typeParams, color: color || 'polymer-id' })
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};
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- await state.updateTree(update, { revertOnError: false }).runInContext(ctx);
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+ await plugin.updateDataState(update, { revertOnError: false });
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return { components, representations };
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}
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});
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-const proteinAndNucleic = StructureRepresentationProvider({
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+const proteinAndNucleic = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-protein-and-nucleic',
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display: { name: 'Protein & Nucleic', group: 'Preset' },
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- params: () => CommonStructureRepresentationParams,
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- async apply(ctx, state, structureCell, params, plugin) {
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+ params: () => CommonStructureRepresentationPresetParams,
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+ async apply(ref, params, plugin) {
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+ const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
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+ if (!structureCell) return {};
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+
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const components = {
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protein: await presetSelectionComponent(plugin, structureCell, 'protein'),
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nucleic: await presetSelectionComponent(plugin, structureCell, 'nucleic'),
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@@ -107,19 +121,22 @@ const proteinAndNucleic = StructureRepresentationProvider({
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nucleic: builder.buildRepresentation(update, components.nucleic, { type: 'gaussian-surface', typeParams, color })
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};
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- await state.updateTree(update, { revertOnError: true }).runInContext(ctx);
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+ await plugin.updateDataState(update, { revertOnError: true });
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return { components, representations };
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}
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});
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-const coarseSurface = StructureRepresentationProvider({
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+const coarseSurface = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-coarse-surface',
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display: { name: 'Coarse Surface', group: 'Preset' },
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- params: () => CommonStructureRepresentationParams,
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- async apply(ctx, state, structureCell, params, plugin) {
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+ params: () => CommonStructureRepresentationPresetParams,
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+ async apply(ref, params, plugin) {
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+ const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
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+ if (!structureCell) return {};
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+
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const structure = structureCell.obj!.data;
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const size = Structure.getSize(structure)
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-
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+
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const gaussianProps = Object.create(null);
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const components = Object.create(null);
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@@ -139,22 +156,25 @@ const coarseSurface = StructureRepresentationProvider({
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components.trace = await presetSelectionComponent(plugin, structureCell, 'polymer')
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}
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-
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+
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const { update, builder, typeParams, color } = reprBuilder(plugin, params);
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const representations = {
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trace: builder.buildRepresentation(update, components.trace, { type: 'gaussian-surface', typeParams: { ...typeParams, ...gaussianProps }, color })
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};
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- await state.updateTree(update, { revertOnError: true }).runInContext(ctx);
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+ await plugin.updateDataState(update, { revertOnError: true });
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return { components, representations };
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}
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});
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-const polymerCartoon = StructureRepresentationProvider({
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+const polymerCartoon = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-polymer-cartoon',
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display: { name: 'Polymer Cartoon', group: 'Preset' },
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- params: () => CommonStructureRepresentationParams,
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- async apply(ctx, state, structureCell, params, plugin) {
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+ params: () => CommonStructureRepresentationPresetParams,
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+ async apply(ref, params, plugin) {
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+ const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
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+ if (!structureCell) return {};
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+
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const components = {
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polymer: await presetSelectionComponent(plugin, structureCell, 'polymer'),
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};
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@@ -164,16 +184,18 @@ const polymerCartoon = StructureRepresentationProvider({
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polymer: builder.buildRepresentation(update, components.polymer, { type: 'cartoon', typeParams, color })
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};
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- await state.updateTree(update, { revertOnError: true }).runInContext(ctx);
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+ await plugin.updateDataState(update, { revertOnError: true });
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return { components, representations };
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}
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});
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-const atomicDetail = StructureRepresentationProvider({
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+const atomicDetail = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-atomic-detail',
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display: { name: 'Atomic Detail', group: 'Preset' },
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- params: () => CommonStructureRepresentationParams,
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- async apply(ctx, state, structureCell, params, plugin) {
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+ params: () => CommonStructureRepresentationPresetParams,
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+ async apply(ref, params, plugin) {
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+ const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
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+ if (!structureCell) return {};
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const components = {
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all: await presetSelectionComponent(plugin, structureCell, 'all'),
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@@ -184,7 +206,7 @@ const atomicDetail = StructureRepresentationProvider({
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all: builder.buildRepresentation(update, components.all, { type: 'ball-and-stick', typeParams, color })
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};
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- await state.updateTree(update, { revertOnError: true }).runInContext(ctx);
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+ await plugin.updateDataState(update, { revertOnError: true });
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return { components, representations };
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}
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});
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@@ -193,26 +215,24 @@ export function presetStaticComponent(plugin: PluginContext, structure: StateObj
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return plugin.builders.structure.tryCreateStaticComponent({
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structure,
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type,
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- key: `static-${type}`,
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- tags: [RepresentationProviderTags.Component]
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+ key: `static-${type}`
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});
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}
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export function presetSelectionComponent(plugin: PluginContext, structure: StateObjectRef<PluginStateObject.Molecule.Structure>, query: keyof typeof Q) {
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- return plugin.builders.structure.tryCreateQueryComponent({
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+ return plugin.builders.structure.tryCreateQueryComponent({
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structure,
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query: Q[query],
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- key: `selection-${query}`,
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- tags: [RepresentationProviderTags.Component]
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+ key: `selection-${query}`
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});
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}
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export const PresetStructureReprentations = {
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auto,
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- atomicDetail,
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- polymerCartoon,
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- polymerAndLigand,
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- proteinAndNucleic,
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- coarseSurface
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+ 'atomic-detail': atomicDetail,
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+ 'polymer-cartoon': polymerCartoon,
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+ 'polymer-and-ligand': polymerAndLigand,
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+ 'protein-and-nucleic': proteinAndNucleic,
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+ 'coarse-surface': coarseSurface
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};
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export type PresetStructureReprentations = typeof PresetStructureReprentations;
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David Sehnal