molstar
Version:
A comprehensive macromolecular library.
72 lines (71 loc) • 3.5 kB
JavaScript
/**
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { __assign } from "tslib";
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { UnitsLinesParams, UnitsLinesVisual } from '../units-visual';
import { Unit } from '../../../mol-model/structure';
import { Vec3 } from '../../../mol-math/linear-algebra';
import { ElementIterator, getElementLoci, eachElement, makeElementIgnoreTest } from './util/element';
import { Sphere3D } from '../../../mol-math/geometry';
import { Lines } from '../../../mol-geo/geometry/lines/lines';
import { LinesBuilder } from '../../../mol-geo/geometry/lines/lines-builder';
import { bondCount } from '../../../mol-model-props/computed/chemistry/util';
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
var v3scaleAndAdd = Vec3.scaleAndAdd;
var v3unitX = Vec3.unitX;
var v3unitY = Vec3.unitY;
var v3unitZ = Vec3.unitZ;
export var ElementCrossParams = __assign(__assign({}, UnitsLinesParams), { lineSizeAttenuation: PD.Boolean(false), ignoreHydrogens: PD.Boolean(false), traceOnly: PD.Boolean(false), crosses: PD.Select('lone', PD.arrayToOptions(['lone', 'all'])), crossSize: PD.Numeric(0.35, { min: 0, max: 2, step: 0.01 }) });
export function createElementCross(ctx, unit, structure, theme, props, lines) {
var child = structure.child;
if (child && !child.unitMap.get(unit.id))
return Lines.createEmpty(lines);
var elements = unit.elements;
var n = elements.length;
var builder = LinesBuilder.create(n, n / 10, lines);
var p = Vec3();
var s = Vec3();
var e = Vec3();
var pos = unit.conformation.invariantPosition;
var ignore = makeElementIgnoreTest(structure, unit, props);
var r = props.crossSize / 2;
var lone = props.crosses === 'lone';
for (var i = 0; i < n; ++i) {
if (ignore && ignore(elements[i]))
continue;
if (lone && Unit.isAtomic(unit) && bondCount(structure, unit, i) !== 0)
continue;
pos(elements[i], p);
v3scaleAndAdd(s, p, v3unitX, r);
v3scaleAndAdd(e, p, v3unitX, -r);
builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
v3scaleAndAdd(s, p, v3unitY, r);
v3scaleAndAdd(e, p, v3unitY, -r);
builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
v3scaleAndAdd(s, p, v3unitZ, r);
v3scaleAndAdd(e, p, v3unitZ, -r);
builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
}
var l = builder.getLines();
var sphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, 1 * props.sizeFactor);
l.setBoundingSphere(sphere);
return l;
}
export function ElementCrossVisual(materialId) {
return UnitsLinesVisual({
defaultProps: PD.getDefaultValues(ElementCrossParams),
createGeometry: createElementCross,
createLocationIterator: ElementIterator.fromGroup,
getLoci: getElementLoci,
eachLocation: eachElement,
setUpdateState: function (state, newProps, currentProps) {
state.createGeometry = (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
newProps.traceOnly !== currentProps.traceOnly ||
newProps.crosses !== currentProps.crosses ||
newProps.crossSize !== currentProps.crossSize);
}
}, materialId);
}