molstar
Version:
A comprehensive macromolecular library.
78 lines (77 loc) • 3.28 kB
JavaScript
/**
* Copyright (c) 2018-2022 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 { UnitsPointsParams, UnitsPointsVisual } from '../units-visual';
import { Points } from '../../../mol-geo/geometry/points/points';
import { PointsBuilder } from '../../../mol-geo/geometry/points/points-builder';
import { Vec3 } from '../../../mol-math/linear-algebra';
import { ElementIterator, getElementLoci, eachElement, makeElementIgnoreTest } from './util/element';
import { Sphere3D } from '../../../mol-math/geometry';
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
var v3add = Vec3.add;
export var ElementPointParams = __assign(__assign({}, UnitsPointsParams), { pointSizeAttenuation: PD.Boolean(false), ignoreHydrogens: PD.Boolean(false), traceOnly: PD.Boolean(false) });
// TODO size
export function createElementPoint(ctx, unit, structure, theme, props, points) {
// TODO sizeFactor
var child = structure.child;
if (child && !child.unitMap.get(unit.id))
return Points.createEmpty(points);
var elements = unit.elements;
var n = elements.length;
var builder = PointsBuilder.create(n, n / 10, points);
var p = Vec3();
var pos = unit.conformation.invariantPosition;
var ignore = makeElementIgnoreTest(structure, unit, props);
var center = Vec3();
var count = 0;
if (ignore) {
for (var i = 0; i < n; ++i) {
if (ignore(elements[i]))
continue;
pos(elements[i], p);
v3add(center, center, p);
count += 1;
builder.add(p[0], p[1], p[2], i);
}
}
else {
for (var i = 0; i < n; ++i) {
pos(elements[i], p);
v3add(center, center, p);
count += 1;
builder.add(p[0], p[1], p[2], i);
}
}
var oldBoundingSphere = points ? Sphere3D.clone(points.boundingSphere) : undefined;
var pt = builder.getPoints();
if (count === 0)
return pt;
// re-use boundingSphere if it has not changed much
var boundingSphere;
Vec3.scale(center, center, 1 / count);
if (oldBoundingSphere && Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
boundingSphere = oldBoundingSphere;
}
else {
boundingSphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, 1 * props.sizeFactor);
}
pt.setBoundingSphere(boundingSphere);
return pt;
}
export function ElementPointVisual(materialId) {
return UnitsPointsVisual({
defaultProps: PD.getDefaultValues(ElementPointParams),
createGeometry: createElementPoint,
createLocationIterator: ElementIterator.fromGroup,
getLoci: getElementLoci,
eachLocation: eachElement,
setUpdateState: function (state, newProps, currentProps) {
state.createGeometry = (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
newProps.traceOnly !== currentProps.traceOnly);
}
}, materialId);
}