molstar
Version:
A comprehensive macromolecular library.
22 lines (21 loc) • 1.07 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.calcUnitProteinTraceLookup3D = calcUnitProteinTraceLookup3D;
const geometry_1 = require("../../../../mol-math/geometry");
const int_1 = require("../../../../mol-data/int");
const boundary_1 = require("../../../../mol-math/geometry/boundary");
function calcUnitProteinTraceLookup3D(unit, unitProteinResidues) {
const { x, y, z } = unit.model.atomicConformation;
const { traceElementIndex } = unit.model.atomicHierarchy.derived.residue;
const indices = new Uint32Array(unitProteinResidues.length);
for (let i = 0, il = unitProteinResidues.length; i < il; ++i) {
indices[i] = traceElementIndex[unitProteinResidues[i]];
}
const position = { x, y, z, indices: int_1.SortedArray.ofSortedArray(indices) };
return (0, geometry_1.GridLookup3D)(position, (0, boundary_1.getBoundary)(position));
}