molstar
Version:
A comprehensive macromolecular library.
115 lines (114 loc) • 3.73 kB
JavaScript
;
/**
* Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.CentroidHelper = void 0;
const vec3_1 = require("../../mol-math/linear-algebra/3d/vec3");
const sphere3d_1 = require("./primitives/sphere3d");
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
const v3add = vec3_1.Vec3.add;
const v3squaredDistance = vec3_1.Vec3.squaredDistance;
const v3distance = vec3_1.Vec3.distance;
class CentroidHelper {
reset() {
vec3_1.Vec3.set(this.center, 0, 0, 0);
this.radiusSq = 0;
this.count = 0;
}
includeStep(p) {
v3add(this.center, this.center, p);
this.count++;
}
finishedIncludeStep() {
if (this.count === 0)
return;
vec3_1.Vec3.scale(this.center, this.center, 1 / this.count);
}
radiusStep(p) {
const d = v3squaredDistance(p, this.center);
if (d > this.radiusSq)
this.radiusSq = d;
}
radiusSphereStep(center, radius) {
const _d = v3distance(center, this.center) + radius;
const d = _d * _d;
if (d > this.radiusSq)
this.radiusSq = d;
}
getSphere(sphere) {
if (!sphere)
sphere = (0, sphere3d_1.Sphere3D)();
vec3_1.Vec3.copy(sphere.center, this.center);
sphere.radius = Math.sqrt(this.radiusSq);
return sphere;
}
getCount() {
return this.count;
}
constructor() {
this.count = 0;
this.center = (0, vec3_1.Vec3)();
this.radiusSq = 0;
}
}
exports.CentroidHelper = CentroidHelper;
(function (CentroidHelper) {
const helper = new CentroidHelper();
const posA = (0, vec3_1.Vec3)();
const posB = (0, vec3_1.Vec3)();
function fromArrays({ x, y, z }, to) {
helper.reset();
const n = x.length;
for (let i = 0; i < n; i++) {
vec3_1.Vec3.set(posA, x[i], y[i], z[i]);
helper.includeStep(posA);
}
helper.finishedIncludeStep();
for (let i = 0; i < n; i++) {
vec3_1.Vec3.set(posA, x[i], y[i], z[i]);
helper.radiusStep(posA);
}
vec3_1.Vec3.copy(to.center, helper.center);
to.radius = Math.sqrt(helper.radiusSq);
return to;
}
CentroidHelper.fromArrays = fromArrays;
function fromProvider(count, getter, to) {
helper.reset();
for (let i = 0; i < count; i++) {
getter(i, posA);
helper.includeStep(posA);
}
helper.finishedIncludeStep();
for (let i = 0; i < count; i++) {
getter(i, posA);
helper.radiusStep(posA);
}
vec3_1.Vec3.copy(to.center, helper.center);
to.radius = Math.sqrt(helper.radiusSq);
return to;
}
CentroidHelper.fromProvider = fromProvider;
function fromPairProvider(count, getter, to) {
helper.reset();
for (let i = 0; i < count; i++) {
getter(i, posA, posB);
helper.includeStep(posA);
helper.includeStep(posB);
}
helper.finishedIncludeStep();
for (let i = 0; i < count; i++) {
getter(i, posA, posB);
helper.radiusStep(posA);
helper.radiusStep(posB);
}
vec3_1.Vec3.copy(to.center, helper.center);
to.radius = Math.sqrt(helper.radiusSq);
return to;
}
CentroidHelper.fromPairProvider = fromPairProvider;
})(CentroidHelper || (exports.CentroidHelper = CentroidHelper = {}));