From 2e013fafc835da774134d11879f82c04261fc85d Mon Sep 17 00:00:00 2001
From: dsehnal <david.sehnal@gmail.com>
Date: Thu, 5 Jan 2023 13:07:21 +0100
Subject: [PATCH] Add StructureElement.Loci.forEachLocation
---
CHANGELOG.md | 1 +
.../structure/structure/element/loci.ts | 20 +++++++++++++++++++
2 files changed, 21 insertions(+)
diff --git a/CHANGELOG.md b/CHANGELOG.md
index 992f4a754..810d7bfd8 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -17,6 +17,7 @@ Note that since we don't clearly distinguish between a public and private interf
- Update clip `defines` only when changed
- Check for identity in structure/unit areEqual methods
- Avoid cloning of structure representation parameters
+- Add StructureElement.Loci.forEachLocation
## [v3.28.0] - 2022-12-20
diff --git a/src/mol-model/structure/structure/element/loci.ts b/src/mol-model/structure/structure/element/loci.ts
index e920a0929..60c7a9436 100644
--- a/src/mol-model/structure/structure/element/loci.ts
+++ b/src/mol-model/structure/structure/element/loci.ts
@@ -143,6 +143,26 @@ export namespace Loci {
return Structure.create(units, { parent: loci.structure.parent });
}
+ /**
+ * Iterates over all locations.
+ * The loc argument of the callback is mutable, use Location.clone() if you intend to keep
+ * the value around.
+ */
+ export function forEachLocation(loci: Loci, f: (loc: Location) => any) {
+ if (Loci.isEmpty(loci)) return;
+
+ const location = Location.create(loci.structure);
+ for (const e of loci.elements) {
+ const { unit, indices } = e;
+ location.unit = unit;
+ const { elements } = e.unit;
+ for (let i = 0, _i = OrderedSet.size(indices); i < _i; i++) {
+ location.element = elements[OrderedSet.getAt(indices, i)];
+ f(location);
+ }
+ }
+ }
+
// TODO: there should be a version that properly supports partitioned units
export function remap(loci: Loci, structure: Structure): Loci {
if (structure === loci.structure) return loci;
--
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