From 728774f0bcd47361baf7424fbeef2fad942dda3a Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Wed, 21 Nov 2018 17:27:46 -0800
Subject: [PATCH] added Structure.Loci
---
src/mol-model/loci.ts | 10 ++++++++--
src/mol-model/structure/structure/structure.ts | 17 +++++++++++++++++
src/mol-theme/label.ts | 2 ++
3 files changed, 27 insertions(+), 2 deletions(-)
diff --git a/src/mol-model/loci.ts b/src/mol-model/loci.ts
index 6bc2d08de..abdd4824d 100644
--- a/src/mol-model/loci.ts
+++ b/src/mol-model/loci.ts
@@ -11,6 +11,7 @@ import { Sphere3D } from 'mol-math/geometry';
import { CentroidHelper } from 'mol-math/geometry/centroid-helper';
import { Vec3 } from 'mol-math/linear-algebra';
import { OrderedSet } from 'mol-data/int';
+import { Structure } from './structure/structure';
/** A Loci that includes every loci */
export const EveryLoci = { kind: 'every-loci' as 'every-loci' }
@@ -29,6 +30,9 @@ export function isEmptyLoci(x: any): x is EmptyLoci {
export function areLociEqual(lociA: Loci, lociB: Loci) {
if (isEveryLoci(lociA) && isEveryLoci(lociB)) return true
if (isEmptyLoci(lociA) && isEmptyLoci(lociB)) return true
+ if (Structure.isLoci(lociA) && Structure.isLoci(lociB)) {
+ return Structure.areLociEqual(lociA, lociB)
+ }
if (StructureElement.isLoci(lociA) && StructureElement.isLoci(lociB)) {
return StructureElement.areLociEqual(lociA, lociB)
}
@@ -44,7 +48,7 @@ export function areLociEqual(lociA: Loci, lociB: Loci) {
export { Loci }
-type Loci = StructureElement.Loci | Link.Loci | EveryLoci | EmptyLoci | Shape.Loci
+type Loci = StructureElement.Loci | Structure.Loci | Link.Loci | EveryLoci | EmptyLoci | Shape.Loci
namespace Loci {
@@ -54,7 +58,9 @@ namespace Loci {
if (loci.kind === 'every-loci' || loci.kind === 'empty-loci') return void 0;
sphereHelper.reset();
- if (loci.kind === 'element-loci') {
+ if (loci.kind === 'structure-loci') {
+ return Sphere3D.clone(loci.structure.boundary.sphere)
+ } else if (loci.kind === 'element-loci') {
for (const e of loci.elements) {
const { indices } = e;
const pos = e.unit.conformation.position;
diff --git a/src/mol-model/structure/structure/structure.ts b/src/mol-model/structure/structure/structure.ts
index 6eaa79bb0..cab555fd9 100644
--- a/src/mol-model/structure/structure/structure.ts
+++ b/src/mol-model/structure/structure/structure.ts
@@ -280,6 +280,23 @@ function getUniqueAtomicResidueIndices(structure: Structure): ReadonlyMap<UUID,
namespace Structure {
export const Empty = new Structure([]);
+ /** Represents a single structure */
+ export interface Loci {
+ readonly kind: 'structure-loci',
+ readonly structure: Structure,
+ }
+ export function Loci(structure: Structure): Loci {
+ return { kind: 'structure-loci', structure };
+ }
+
+ export function isLoci(x: any): x is Loci {
+ return !!x && x.kind === 'structure-loci';
+ }
+
+ export function areLociEqual(a: Loci, b: Loci) {
+ return a.structure === b.structure
+ }
+
export function create(units: ReadonlyArray<Unit>): Structure { return new Structure(units); }
/**
diff --git a/src/mol-theme/label.ts b/src/mol-theme/label.ts
index 6cfaafb23..0e961fca8 100644
--- a/src/mol-theme/label.ts
+++ b/src/mol-theme/label.ts
@@ -20,6 +20,8 @@ function setElementLocation(loc: StructureElement, unit: Unit, index: StructureE
export function labelFirst(loci: Loci): string {
switch (loci.kind) {
+ case 'structure-loci':
+ return loci.structure.models.map(m => m.label).join(', ')
case 'element-loci':
const e = loci.elements[0]
if (e) {
--
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