molstar
Version:
A comprehensive macromolecular library.
19 lines (18 loc) • 902 B
JavaScript
/**
* Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { GridLookup3D } from '../../../../mol-math/geometry';
import { SortedArray } from '../../../../mol-data/int';
import { getBoundary } from '../../../../mol-math/geometry/boundary';
export 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: SortedArray.ofSortedArray(indices) };
return GridLookup3D(position, getBoundary(position));
}