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@@ -1,5 +1,5 @@
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/**
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- * Copyright (c) 2019-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author David Sehnal <david.sehnal@gmail.com>
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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@@ -24,6 +24,8 @@ import { IndexPairBonds } from '../../../mol-model-formats/structure/property/bo
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import { StructConn } from '../../../mol-model-formats/structure/property/bonds/struct_conn';
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import { StructureRepresentationRegistry } from '../../../mol-repr/structure/registry';
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import { assertUnreachable } from '../../../mol-util/type-helpers';
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+import { Color } from '../../../mol-util/color';
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+import { PostprocessingParams } from '../../../mol-canvas3d/passes/postprocessing';
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export interface StructureRepresentationPresetProvider<P = any, S extends _Result = _Result> extends PresetProvider<PluginStateObject.Molecule.Structure, P, S> { }
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export function StructureRepresentationPresetProvider<P, S extends _Result>(repr: StructureRepresentationPresetProvider<P, S>) { return repr; }
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@@ -98,6 +100,15 @@ type CommonParams = StructureRepresentationPresetProvider.CommonParams
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const reprBuilder = StructureRepresentationPresetProvider.reprBuilder;
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const updateFocusRepr = StructureRepresentationPresetProvider.updateFocusRepr;
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+function resetPostprocessingProps(plugin: PluginContext) {
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+ if (plugin.canvas3d) {
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+ const p = PD.getDefaultValues(PostprocessingParams);
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+ plugin.canvas3d.setProps({
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+ postprocessing: { outline: p.outline, occlusion: p.occlusion }
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+ });
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+ }
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+}
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+
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const auto = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-auto',
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display: {
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@@ -137,6 +148,7 @@ const empty = StructureRepresentationPresetProvider({
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id: 'preset-structure-representation-empty',
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display: { name: 'Empty', description: 'Removes all existing representations.' },
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async apply(ref, params, plugin) {
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+ resetPostprocessingProps(plugin);
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return { };
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}
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});
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@@ -191,6 +203,8 @@ const polymerAndLigand = StructureRepresentationPresetProvider({
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await update.commit({ revertOnError: false });
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await updateFocusRepr(plugin, structure, params.theme?.focus?.name, params.theme?.focus?.params);
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+ resetPostprocessingProps(plugin);
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+
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return { components, representations };
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}
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});
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@@ -230,6 +244,8 @@ const proteinAndNucleic = StructureRepresentationPresetProvider({
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await update.commit({ revertOnError: true });
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await updateFocusRepr(plugin, structure, params.theme?.focus?.name, params.theme?.focus?.params);
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+ resetPostprocessingProps(plugin);
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+
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return { components, representations };
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}
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});
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@@ -282,6 +298,8 @@ const coarseSurface = StructureRepresentationPresetProvider({
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await update.commit({ revertOnError: true });
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await updateFocusRepr(plugin, structure, params.theme?.focus?.name, params.theme?.focus?.params);
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+ resetPostprocessingProps(plugin);
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+
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return { components, representations };
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}
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});
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@@ -315,6 +333,8 @@ const polymerCartoon = StructureRepresentationPresetProvider({
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await update.commit({ revertOnError: true });
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await updateFocusRepr(plugin, structure, params.theme?.focus?.name, params.theme?.focus?.params);
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+ resetPostprocessingProps(plugin);
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+
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return { components, representations };
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}
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});
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@@ -381,6 +401,56 @@ const atomicDetail = StructureRepresentationPresetProvider({
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await update.commit({ revertOnError: true });
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await updateFocusRepr(plugin, structure, params.theme?.focus?.name ?? color, params.theme?.focus?.params ?? colorParams);
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+ resetPostprocessingProps(plugin);
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+
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+ return { components, representations };
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+ }
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+});
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+
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+const illustrative = StructureRepresentationPresetProvider({
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+ id: 'preset-structure-representation-illustrative',
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+ display: {
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+ name: 'Illustrative', group: 'Miscellaneous',
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+ description: '...'
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+ },
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+ params: () => ({
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+ ...CommonParams,
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+ showCarbohydrateSymbol: PD.Boolean(false)
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+ }),
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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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+ all: await presetStaticComponent(plugin, structureCell, 'all'),
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+ branched: undefined
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+ };
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+
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+ const structure = structureCell.obj!.data;
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+
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+ const { update, builder, typeParams, color } = reprBuilder(plugin, params, structure);
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+
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+ const representations = {
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+ all: builder.buildRepresentation(update, components.all, { type: 'spacefill', typeParams: { ...typeParams, ignoreLight: true }, color: 'illustrative' }, { tag: 'all' }),
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+ };
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+ await update.commit({ revertOnError: true });
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+ await updateFocusRepr(plugin, structure, params.theme?.focus?.name ?? color, params.theme?.focus?.params);
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+
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+ if (plugin.canvas3d) {
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+ plugin.canvas3d.setProps({
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+ postprocessing: {
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+ outline: {
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+ name: 'on',
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+ params: { scale: 1, color: Color(0x000000), threshold: 0.25 }
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+ },
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+ occlusion: {
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+ name: 'on',
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+ params: { bias: 0.9, blurKernelSize: 15, radius: 5, samples: 32 }
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+ },
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+ }
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+ });
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+ }
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+
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return { components, representations };
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}
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});
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@@ -400,6 +470,7 @@ export const PresetStructureRepresentations = {
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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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+ 'coarse-surface': coarseSurface,
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+ 'illustrative': illustrative,
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};
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export type PresetStructureRepresentations = typeof PresetStructureRepresentations;
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Alexander Rose