molstar
Version:
A comprehensive macromolecular library.
62 lines (61 loc) • 2.88 kB
JavaScript
/**
* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { StructureElement } from '../../../../../mol-model/structure';
import { SortedRanges } from '../../../../../mol-data/int/sorted-ranges';
import { getGapRanges } from '../polymer';
/** Iterates over gaps, i.e. the stem residues/coarse elements adjacent to gaps */
export function PolymerGapIterator(structure, unit) {
switch (unit.kind) {
case 0 /* Unit.Kind.Atomic */: return new AtomicPolymerGapIterator(structure, unit);
case 1 /* Unit.Kind.Spheres */:
case 2 /* Unit.Kind.Gaussians */:
return new CoarsePolymerGapIterator(structure, unit);
}
}
function createPolymerGapPair(structure, unit) {
return {
centerA: StructureElement.Location.create(structure, unit),
centerB: StructureElement.Location.create(structure, unit),
};
}
var AtomicPolymerGapIterator = /** @class */ (function () {
function AtomicPolymerGapIterator(structure, unit) {
this.unit = unit;
this.hasNext = false;
this.traceElementIndex = unit.model.atomicHierarchy.derived.residue.traceElementIndex; // can assume it won't be -1 for polymer residues
this.gapIt = SortedRanges.transientSegments(getGapRanges(unit), unit.elements);
this.value = createPolymerGapPair(structure, unit);
this.hasNext = this.gapIt.hasNext;
}
AtomicPolymerGapIterator.prototype.move = function () {
var _a = this.unit, elements = _a.elements, residueIndex = _a.residueIndex;
var gapSegment = this.gapIt.move();
this.value.centerA.element = this.traceElementIndex[residueIndex[elements[gapSegment.start]]];
this.value.centerB.element = this.traceElementIndex[residueIndex[elements[gapSegment.end - 1]]];
this.hasNext = this.gapIt.hasNext;
return this.value;
};
return AtomicPolymerGapIterator;
}());
export { AtomicPolymerGapIterator };
var CoarsePolymerGapIterator = /** @class */ (function () {
function CoarsePolymerGapIterator(structure, unit) {
this.unit = unit;
this.hasNext = false;
this.gapIt = SortedRanges.transientSegments(getGapRanges(unit), unit.elements);
this.value = createPolymerGapPair(structure, unit);
this.hasNext = this.gapIt.hasNext;
}
CoarsePolymerGapIterator.prototype.move = function () {
var gapSegment = this.gapIt.move();
this.value.centerA.element = this.unit.elements[gapSegment.start];
this.value.centerB.element = this.unit.elements[gapSegment.end - 1];
this.hasNext = this.gapIt.hasNext;
return this.value;
};
return CoarsePolymerGapIterator;
}());
export { CoarsePolymerGapIterator };