diff --git a/src/mol-plugin/ui/controls.tsx b/src/mol-plugin/ui/controls.tsx
index d8c2af001dfbc11cd1f4748b4f4d03490b5ed6e7..31c64b94e133d76048cf17aed55e7694e8b4510e 100644
--- a/src/mol-plugin/ui/controls.tsx
+++ b/src/mol-plugin/ui/controls.tsx
@@ -16,8 +16,9 @@ import { StateTransforms } from '../../mol-plugin/state/transforms';
import { StateTransformer } from '../../mol-state';
import { ModelFromTrajectory } from '../../mol-plugin/state/transforms/model';
import { AnimationControls } from './state/animation';
-import { OverpaintControls } from './structure/overpaint';
-import { RepresentationControls } from './structure/representation';
+import { StructureOverpaintControls } from './structure/overpaint';
+import { StructureRepresentationControls } from './structure/representation';
+import { StructureSelectionControls } from './structure/selection';
export class TrajectoryViewportControls extends PluginUIComponent<{}, { show: boolean, label: string }> {
state = { show: false, label: '' }
@@ -259,8 +260,9 @@ export class StructureToolsWrapper extends PluginUIComponent {
return <div>
<div className='msp-section-header'><Icon name='code' /> Structure Tools</div>
- <OverpaintControls />
- <RepresentationControls />
+ <StructureSelectionControls />
+ <StructureOverpaintControls />
+ <StructureRepresentationControls />
</div>;
}
}
\ No newline at end of file
diff --git a/src/mol-plugin/ui/structure/overpaint.tsx b/src/mol-plugin/ui/structure/overpaint.tsx
index 12f845a8d5618774eb14b737597c3ef6f52c6b6b..c158f2801f564f0f155caadacce44b05ae4298c5 100644
--- a/src/mol-plugin/ui/structure/overpaint.tsx
+++ b/src/mol-plugin/ui/structure/overpaint.tsx
@@ -21,8 +21,8 @@ import { getExpression } from './util';
type OverpaintEachReprCallback = (update: StateBuilder.Root, repr: StateObjectCell<PluginStateObject.Molecule.Structure.Representation3D, StateTransform<typeof StateTransforms.Representation.StructureRepresentation3D>>, rootStructure: Structure, overpaint?: StateObjectCell<any, StateTransform<typeof StateTransforms.Representation.OverpaintStructureRepresentation3D>>) => void
const OverpaintManagerTag = 'overpaint-controls'
-export class OverpaintControls extends PluginUIComponent<{}, { params: PD.Values<ReturnType<typeof OverpaintControls.getParams>> }> {
- state = { params: PD.getDefaultValues(OverpaintControls.getParams(this.plugin)) }
+export class StructureOverpaintControls extends PluginUIComponent<{}, { params: PD.Values<ReturnType<typeof StructureOverpaintControls.getParams>> }> {
+ state = { params: PD.getDefaultValues(StructureOverpaintControls.getParams(this.plugin)) }
static getParams = (plugin: PluginContext) => {
const { types } = plugin.structureRepresentation.registry
@@ -96,7 +96,7 @@ export class OverpaintControls extends PluginUIComponent<{}, { params: PD.Values
<button className='msp-btn msp-btn-block'>Current Selection Overpaint</button>
</div>
<div>
- <ParameterControls params={OverpaintControls.getParams(this.plugin)} values={this.state.params} onChange={p => {
+ <ParameterControls params={StructureOverpaintControls.getParams(this.plugin)} values={this.state.params} onChange={p => {
const params = { ...this.state.params, [p.name]: p.value };
this.setState({ params });
}}/>
diff --git a/src/mol-plugin/ui/structure/representation.tsx b/src/mol-plugin/ui/structure/representation.tsx
index 74d35f0be97375ab32e2a04d5a498e3c9d47f5a8..54e06dfce717987bc7a47d76234ecdfae2dae352 100644
--- a/src/mol-plugin/ui/structure/representation.tsx
+++ b/src/mol-plugin/ui/structure/representation.tsx
@@ -36,8 +36,8 @@ function getCombinedLoci(mode: 'add' | 'remove' | 'only' | 'all', loci: Structur
}
}
-export class RepresentationControls extends PluginUIComponent<{}, { params: PD.Values<ReturnType<typeof RepresentationControls.getParams>> }> {
- state = { params: PD.getDefaultValues(RepresentationControls.getParams(this.plugin)) }
+export class StructureRepresentationControls extends PluginUIComponent<{}, { params: PD.Values<ReturnType<typeof StructureRepresentationControls.getParams>> }> {
+ state = { params: PD.getDefaultValues(StructureRepresentationControls.getParams(this.plugin)) }
static getParams = (plugin: PluginContext) => {
const { types } = plugin.structureRepresentation.registry
@@ -129,7 +129,7 @@ export class RepresentationControls extends PluginUIComponent<{}, { params: PD.V
<button className='msp-btn msp-btn-block'>Current Selection Representation</button>
</div>
<div>
- <ParameterControls params={RepresentationControls.getParams(this.plugin)} values={this.state.params} onChange={p => {
+ <ParameterControls params={StructureRepresentationControls.getParams(this.plugin)} values={this.state.params} onChange={p => {
const params = { ...this.state.params, [p.name]: p.value };
this.setState({ params });
}}/>
diff --git a/src/mol-plugin/ui/structure/selection.tsx b/src/mol-plugin/ui/structure/selection.tsx
new file mode 100644
index 0000000000000000000000000000000000000000..ea60e71c2582596f255cbe2a99d7026f0cd7a5d9
--- /dev/null
+++ b/src/mol-plugin/ui/structure/selection.tsx
@@ -0,0 +1,76 @@
+/**
+ * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import * as React from 'react';
+import { PluginUIComponent } from '../base';
+import { MolScriptBuilder as MS } from '../../../mol-script/language/builder';
+import { StateSelection } from '../../../mol-state';
+import { PluginStateObject } from '../../state/objects';
+import { QueryContext, StructureSelection, QueryFn, Queries as _Queries } from '../../../mol-model/structure';
+import { compile } from '../../../mol-script/runtime/query/compiler';
+import { ButtonsType } from '../../../mol-util/input/input-observer';
+import { EmptyLoci } from '../../../mol-model/loci';
+
+const Queries = {
+ all: () => compile<StructureSelection>(MS.struct.generator.all()),
+ polymers: () => _Queries.internal.atomicSequence(),
+ water: () => _Queries.internal.water(),
+ ligands: () => _Queries.internal.atomicHet(),
+ coarse: () => _Queries.internal.spheres(),
+}
+
+export class StructureSelectionControls extends PluginUIComponent<{}, {}> {
+ state = {}
+
+ select = (query: QueryFn<StructureSelection>) => {
+ const state = this.plugin.state.dataState
+ const structures = state.select(StateSelection.Generators.rootsOfType(PluginStateObject.Molecule.Structure))
+ const { structureSelection } = this.plugin.helpers
+
+ structureSelection.clear()
+ for (const so of structures) {
+ const s = so.obj!.data
+ const result = query(new QueryContext(s))
+ const loci = StructureSelection.toLoci2(result)
+
+ // TODO use better API when available
+ this.plugin.interactivity.lociSelections.apply({
+ current: { loci },
+ buttons: ButtonsType.Flag.Secondary,
+ modifiers: { shift: false, alt: false, control: true, meta: false }
+ })
+ }
+ }
+
+ clear = () => {
+ // TODO use better API when available
+ this.plugin.interactivity.lociSelections.apply({
+ current: { loci: EmptyLoci },
+ buttons: ButtonsType.Flag.Secondary,
+ modifiers: { shift: false, alt: false, control: true, meta: false }
+ })
+ }
+
+ render() {
+ return <div className='msp-transform-wrapper'>
+ <div className='msp-transform-header'>
+ <button className='msp-btn msp-btn-block'>Current Selection</button>
+ </div>
+ <div>
+ <div className='msp-btn-row-group'>
+ <button className='msp-btn msp-btn-block msp-form-control' onClick={() => this.select(Queries.all())}>All</button>
+ <button className='msp-btn msp-btn-block msp-form-control' onClick={() => this.clear()}>None</button>
+ </div>
+ <div className='msp-btn-row-group'>
+ <button className='msp-btn msp-btn-block msp-form-control' onClick={() => this.select(Queries.polymers())}>Polymers</button>
+ <button className='msp-btn msp-btn-block msp-form-control' onClick={() => this.select(Queries.ligands())}>Ligands</button>
+ <button className='msp-btn msp-btn-block msp-form-control' onClick={() => this.select(Queries.water())}>Water</button>
+ <button className='msp-btn msp-btn-block msp-form-control' onClick={() => this.select(Queries.coarse())}>Coarse</button>
+ </div>
+ </div>
+ </div>
+ }
+}
\ No newline at end of file
diff --git a/src/mol-plugin/util/interactivity.ts b/src/mol-plugin/util/interactivity.ts
index 87031ce0e1c0f76fe4f3189267579a5fd662ba1e..bce545a963a815be2635ba2e8336bafa57f66b4d 100644
--- a/src/mol-plugin/util/interactivity.ts
+++ b/src/mol-plugin/util/interactivity.ts
@@ -163,6 +163,7 @@ namespace Interactivity {
}
}
+ // TODO create better API that is independent of a `ClickEvent`
apply(e: ClickEvent) {
const { current, buttons, modifiers } = e
const normalized: Loci<ModelLoci> = this.normalizedLoci(current)