From 478033d4055c32946e39e23fc1faab3b8e1dd7de Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Tue, 9 Jun 2020 19:27:56 +0200
Subject: [PATCH] mol-plugin: added excludeTargetFromSurroundings to Focus
behavior
---
package-lock.json | Bin 603054 -> 603050 bytes
.../structure-focus-representation.ts | 33 +++++++++++++++---
2 files changed, 28 insertions(+), 5 deletions(-)
diff --git a/package-lock.json b/package-lock.json
index 0c5435164cb9db0db058b6d24f59968aa026e390..149b28965084d40054210f8b62733c5b4979ef5e 100644
GIT binary patch
delta 93
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jMcd_DSbbUH%G-g;x6kfm<NX2>YTsYWzI}f!$NQ}S?0g|`
delta 114
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zb-SM;TN2~;-d5JT%&0oHPIs_n<=wtPjg5`5J)xU*dqOvx>!;}l1eqn;_tdg)-&4!+
GZYu!N%`77T
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 74ad78176..42f8ea7d1 100644
--- a/src/mol-plugin/behavior/dynamic/selection/structure-focus-representation.ts
+++ b/src/mol-plugin/behavior/dynamic/selection/structure-focus-representation.ts
@@ -39,7 +39,8 @@ const StructureFocusRepresentationParams = (plugin: PluginContext) => {
size: SizeTheme.BuiltIn.uniform
})
}),
- components: PD.MultiSelect(FocusComponents, PD.arrayToOptions(FocusComponents))
+ components: PD.MultiSelect(FocusComponents, PD.arrayToOptions(FocusComponents)),
+ excludeTargetFromSurroundings: PD.Boolean(false, { label: 'Exclude Target', description: 'Exclude the focus "target" from the surroudings component.' })
};
};
@@ -106,6 +107,7 @@ class StructureFocusRepresentationBehavior extends PluginBehavior.WithSubscriber
private clear(root: StateTransform.Ref) {
const state = this.plugin.state.data;
+ this.currentSource = void 0;
const foci = state.select(StateSelection.Generators.byRef(root).subtree().withTag(StructureFocusRepresentationTags.TargetSel));
const surrs = state.select(StateSelection.Generators.byRef(root).subtree().withTag(StructureFocusRepresentationTags.SurrSel));
@@ -125,21 +127,31 @@ class StructureFocusRepresentationBehavior extends PluginBehavior.WithSubscriber
return PluginCommands.State.Update(this.plugin, { state, tree: update, options: { doNotLogTiming: true, doNotUpdateCurrent: true } });
}
+ private currentSource: StructureElement.Loci | undefined = void 0;
private async focus(sourceLoci: StructureElement.Loci) {
const parent = this.plugin.helpers.substructureParent.get(sourceLoci.structure);
if (!parent || !parent.obj) return;
+ this.currentSource = sourceLoci;
const loci = StructureElement.Loci.remap(sourceLoci, parent.obj!.data);
const residueLoci = StructureElement.Loci.extendToWholeResidues(loci);
const residueBundle = StructureElement.Bundle.fromLoci(residueLoci);
- const surroundings = MS.struct.modifier.includeSurroundings({
- 0: StructureElement.Bundle.toExpression(residueBundle),
+ const target = StructureElement.Bundle.toExpression(residueBundle);
+ let surroundings = MS.struct.modifier.includeSurroundings({
+ 0: target,
radius: this.params.expandRadius,
'as-whole-residues': true
});
+ if (this.params.excludeTargetFromSurroundings) {
+ surroundings = MS.struct.modifier.exceptBy({
+ 0: surroundings,
+ by: target
+ });
+ }
+
const { state, builder, refs } = this.ensureShape(parent);
builder.to(refs[StructureFocusRepresentationTags.TargetSel]!).update(StateTransforms.Model.StructureSelectionFromBundle, old => ({ ...old, bundle: residueBundle }));
@@ -159,6 +171,13 @@ class StructureFocusRepresentationBehavior extends PluginBehavior.WithSubscriber
const old = this.params;
this.params = params;
+ if (old.excludeTargetFromSurroundings !== params.excludeTargetFromSurroundings) {
+ if (this.currentSource) {
+ this.focus(this.currentSource);
+ }
+ return true;
+ }
+
const state = this.plugin.state.data;
const builder = state.build();
@@ -187,8 +206,12 @@ class StructureFocusRepresentationBehavior extends PluginBehavior.WithSubscriber
await PluginCommands.State.Update(this.plugin, { state, tree: builder, options: { doNotLogTiming: true, doNotUpdateCurrent: true } });
- // TODO: update properly
- if (params.expandRadius !== old.expandRadius) await this.clear(StateTransform.RootRef);
+ if (params.expandRadius !== old.expandRadius) {
+ if (this.currentSource) {
+ this.focus(this.currentSource);
+ }
+ return true;
+ }
return true;
}
--
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