molstar
Version:
A comprehensive macromolecular library.
50 lines (49 loc) • 2.16 kB
JavaScript
;
/**
* Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.calcModelCenter = calcModelCenter;
exports.getAsymIdCount = getAsymIdCount;
const linear_algebra_1 = require("../../../mol-math/linear-algebra");
const array_1 = require("../../../mol-util/array");
function calcModelCenter(atomicConformation, coarseConformation) {
const rangesX = [];
const rangesY = [];
const rangesZ = [];
if (atomicConformation.x.length) {
rangesX.push(...(0, array_1.arrayMinMax)(atomicConformation.x));
rangesY.push(...(0, array_1.arrayMinMax)(atomicConformation.y));
rangesZ.push(...(0, array_1.arrayMinMax)(atomicConformation.z));
}
if (coarseConformation) {
if (coarseConformation.spheres.x.length) {
rangesX.push(...(0, array_1.arrayMinMax)(coarseConformation.spheres.x));
rangesY.push(...(0, array_1.arrayMinMax)(coarseConformation.spheres.y));
rangesZ.push(...(0, array_1.arrayMinMax)(coarseConformation.spheres.z));
}
if (coarseConformation.gaussians.x.length) {
rangesX.push(...(0, array_1.arrayMinMax)(coarseConformation.gaussians.x));
rangesY.push(...(0, array_1.arrayMinMax)(coarseConformation.gaussians.y));
rangesZ.push(...(0, array_1.arrayMinMax)(coarseConformation.gaussians.z));
}
}
const [minX, maxX] = (0, array_1.arrayMinMax)(rangesX);
const [minY, maxY] = (0, array_1.arrayMinMax)(rangesY);
const [minZ, maxZ] = (0, array_1.arrayMinMax)(rangesZ);
const x = minX + (maxX - minX) / 2;
const y = minY + (maxY - minY) / 2;
const z = minZ + (maxZ - minZ) / 2;
return linear_algebra_1.Vec3.create(x, y, z);
}
function getAsymIdCount(model) {
const auth = new Set();
const label = new Set();
model.properties.structAsymMap.forEach(({ auth_id }, label_id) => {
auth.add(auth_id);
label.add(label_id);
});
return { auth: auth.size, label: label.size };
}