molstar
Version:
A comprehensive macromolecular library.
37 lines • 1.47 kB
JavaScript
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/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.getUnitProteinInfo = void 0;
var int_1 = require("../../../../mol-data/int");
function getUnitProteinInfo(unit) {
var index = unit.model.atomicHierarchy.index;
var proteinElements = unit.proteinElements, residueIndex = unit.residueIndex;
var residueCount = proteinElements.length;
var unitProteinResidues = new Uint32Array(residueCount);
var c = new Int32Array(residueCount);
var h = new Int32Array(residueCount);
var o = new Int32Array(residueCount);
var n = new Int32Array(residueCount);
for (var i = 0; i < residueCount; ++i) {
var rI = residueIndex[proteinElements[i]];
unitProteinResidues[i] = rI;
c[i] = index.findAtomOnResidue(rI, 'C');
h[i] = index.findAtomOnResidue(rI, 'H');
o[i] = index.findAtomOnResidue(rI, 'O');
n[i] = index.findAtomOnResidue(rI, 'N');
}
return {
residueIndices: int_1.SortedArray.ofSortedArray(unitProteinResidues),
cIndices: c,
hIndices: h,
oIndices: o,
nIndices: n,
};
}
exports.getUnitProteinInfo = getUnitProteinInfo;
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