From 08e92f12d3f9ebc9a3e78097b636589cf1cd22a3 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alexander.rose@weirdbyte.de>
Date: Fri, 19 Jul 2019 09:42:09 -0700
Subject: [PATCH] improved MolecularSurface calc: projectToriiRange
---
src/mol-math/geometry/molecular-surface.ts | 12 +++++++++---
1 file changed, 9 insertions(+), 3 deletions(-)
diff --git a/src/mol-math/geometry/molecular-surface.ts b/src/mol-math/geometry/molecular-surface.ts
index 81305f41e..a133e6704 100644
--- a/src/mol-math/geometry/molecular-surface.ts
+++ b/src/mol-math/geometry/molecular-surface.ts
@@ -291,16 +291,22 @@ export async function calcMolecularSurface(ctx: RuntimeContext, position: Requir
}
}
- async function projectTorii () {
- for (let i = 0; i < n; ++i) {
+ function projectToriiRange (begI: number, endI: number) {
+ for (let i = begI; i < endI; ++i) {
const k = OrderedSet.getAt(indices, i)
lookup3d.find(px[k], py[k], pz[k], radius[k])
for (let j = 0, jl = neighbours.count; j < jl; ++j) {
const l = OrderedSet.getAt(indices, neighbours.indices[j])
if (k < l) projectTorus(k, l)
}
+ }
+ }
- if (i % updateChunk === 0 && ctx.shouldUpdate) {
+ async function projectTorii() {
+ for (let i = 0; i < n; i += updateChunk) {
+ projectToriiRange(i, Math.min(i + updateChunk, n))
+
+ if (ctx.shouldUpdate) {
await ctx.update({ message: 'projecting torii', current: i, max: n })
}
}
--
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