From 198e2f204322896827b20123d3bcc8e45f482fc4 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Wed, 16 Oct 2019 15:48:39 -0700
Subject: [PATCH] support for currentSelection in StructureSelectionHelper and
surroundings query
---
.../util/structure-selection-helper.ts | 22 +++++++++++++++++--
1 file changed, 20 insertions(+), 2 deletions(-)
diff --git a/src/mol-plugin/util/structure-selection-helper.ts b/src/mol-plugin/util/structure-selection-helper.ts
index 5ff06f836..13bb99190 100644
--- a/src/mol-plugin/util/structure-selection-helper.ts
+++ b/src/mol-plugin/util/structure-selection-helper.ts
@@ -7,7 +7,7 @@
import { MolScriptBuilder as MS } from '../../mol-script/language/builder';
import { StateSelection } from '../../mol-state';
import { PluginStateObject } from '../state/objects';
-import { QueryContext, StructureSelection, StructureQuery } from '../../mol-model/structure';
+import { QueryContext, StructureSelection, StructureQuery, StructureElement } from '../../mol-model/structure';
import { compile } from '../../mol-script/runtime/query/compiler';
import { Loci } from '../../mol-model/loci';
import { PluginContext } from '../context';
@@ -185,6 +185,17 @@ const coarse = MS.struct.modifier.union([
})
])
+const surroundings = MS.struct.modifier.union([
+ MS.struct.modifier.exceptBy({
+ 0: MS.struct.modifier.includeSurroundings({
+ 0: MS.internal.generator.current(),
+ radius: 5,
+ 'as-whole-residues': true
+ }),
+ by: MS.internal.generator.current()
+ })
+])
+
export const StructureSelectionQueries = {
all,
polymer,
@@ -202,6 +213,7 @@ export const StructureSelectionQueries = {
connectedOnly,
modified,
coarse,
+ surroundings,
}
export const CompiledStructureSelectionQueries = (function () {
@@ -241,7 +253,13 @@ export class StructureSelectionHelper {
for (const so of this.structures) {
const s = so.obj!.data
- const result = compiled(new QueryContext(s))
+
+ const current = this.plugin.helpers.structureSelectionManager.get(s)
+ const currentSelection = Loci.isEmpty(current)
+ ? StructureSelection.Empty(s)
+ : StructureSelection.Singletons(s, StructureElement.Loci.toStructure(current))
+
+ const result = compiled(new QueryContext(s, { currentSelection }))
const loci = StructureSelection.toLociWithSourceUnits(result)
this._set(modifier, loci)
}
--
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