From 451dc12689d4f4f0c8d8d5686d5f229e446c6b15 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alexander.rose@weirdbyte.de>
Date: Sun, 11 Jul 2021 11:31:02 -0700
Subject: [PATCH] cleanup
---
.../helix-orientation/helix-orientation.ts | 15 +--------------
1 file changed, 1 insertion(+), 14 deletions(-)
diff --git a/src/mol-model-props/computed/helix-orientation/helix-orientation.ts b/src/mol-model-props/computed/helix-orientation/helix-orientation.ts
index af23b4676..5f83a2ce6 100644
--- a/src/mol-model-props/computed/helix-orientation/helix-orientation.ts
+++ b/src/mol-model-props/computed/helix-orientation/helix-orientation.ts
@@ -15,7 +15,7 @@ export interface HelixOrientation {
centers: ArrayLike<number>
}
-/** Use same definition as GROMACS' helixorient */
+/** Usees same definition as GROMACS' helixorient */
export function calcHelixOrientation(model: Model): HelixOrientation {
const { x, y, z } = model.atomicConformation;
const { polymerType, traceElementIndex } = model.atomicHierarchy.derived.residue;
@@ -27,10 +27,6 @@ export function calcHelixOrientation(model: Model): HelixOrientation {
const centers = new Float32Array(n * 3);
const axes = new Float32Array(n * 3);
- // const twists = new Float32Array(n);
- // const diffs = new Float32Array(n);
- // const rises = new Float32Array(n);
- // const radii = new Float32Array(n);
let i = 0;
let j = -1;
@@ -88,12 +84,7 @@ export function calcHelixOrientation(model: Model): HelixOrientation {
Vec3.normalize(axis, axis);
Vec3.toArray(axis, axes, j3);
- // if (j > 0) {
- // diffs[j] = Vec3.angle(axis, prevAxis);
- // }
-
const tmp = Math.cos(Vec3.angle(diff13, diff24));
- // twists[j] = 180.0 / Math.PI * Math.acos(tmp);
const diff13Length = Vec3.magnitude(diff13);
const diff24Length = Vec3.magnitude(diff24);
@@ -104,9 +95,6 @@ export function calcHelixOrientation(model: Model): HelixOrientation {
// angle between diff13 and diff24 is close to 0
Math.max(2.0, 2.0 * (1.0 - tmp))
);
- // radii[j] = r;
-
- // rises[j] = Math.abs(Vec3.dot(r23, axis));
Vec3.scale(v1, diff13, r / diff13Length);
Vec3.sub(v1, a2, v1);
@@ -142,7 +130,6 @@ export function calcHelixOrientation(model: Model): HelixOrientation {
Vec3.set(a1, x[eI], y[eI], z[eI]);Vec3.copy(vt, a1);
Vec3.projectPointOnVector(vt, vt, axis, v1);
Vec3.toArray(vt, centers, e3);
-
}
return {
--
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