molstar
Version:
A comprehensive macromolecular library.
64 lines (63 loc) • 3.55 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, __awaiter, __generator } from "tslib";
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { Lines } from '../../../mol-geo/geometry/lines/lines';
import { computeUnitGaussianDensity, GaussianDensityParams } from './util/gaussian';
import { computeMarchingCubesLines } from '../../../mol-geo/util/marching-cubes/algorithm';
import { UnitsLinesParams, UnitsLinesVisual } from '../units-visual';
import { ElementIterator, getElementLoci, eachElement } from './util/element';
import { Sphere3D } from '../../../mol-math/geometry';
function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
return __awaiter(this, void 0, void 0, function () {
var smoothness, _a, transform, field, idField, maxRadius, params, wireframe, sphere;
return __generator(this, function (_b) {
switch (_b.label) {
case 0:
smoothness = props.smoothness;
return [4 /*yield*/, computeUnitGaussianDensity(structure, unit, theme.size, props).runInContext(ctx.runtime)];
case 1:
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, maxRadius = _a.maxRadius;
params = {
isoLevel: Math.exp(-smoothness),
scalarField: field,
idField: idField
};
return [4 /*yield*/, computeMarchingCubesLines(params, lines).runAsChild(ctx.runtime)];
case 2:
wireframe = _b.sent();
Lines.transform(wireframe, transform);
sphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, maxRadius);
wireframe.setBoundingSphere(sphere);
return [2 /*return*/, wireframe];
}
});
});
}
export var GaussianWireframeParams = __assign(__assign(__assign({}, UnitsLinesParams), GaussianDensityParams), { sizeFactor: PD.Numeric(3, { min: 0, max: 10, step: 0.1 }), lineSizeAttenuation: PD.Boolean(false), ignoreHydrogens: PD.Boolean(false), includeParent: PD.Boolean(false, { isHidden: true }) });
export function GaussianWireframeVisual(materialId) {
return UnitsLinesVisual({
defaultProps: PD.getDefaultValues(GaussianWireframeParams),
createGeometry: createGaussianWireframe,
createLocationIterator: ElementIterator.fromGroup,
getLoci: getElementLoci,
eachLocation: eachElement,
setUpdateState: function (state, newProps, currentProps) {
if (newProps.resolution !== currentProps.resolution)
state.createGeometry = true;
if (newProps.radiusOffset !== currentProps.radiusOffset)
state.createGeometry = true;
if (newProps.smoothness !== currentProps.smoothness)
state.createGeometry = true;
if (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens)
state.createGeometry = true;
if (newProps.traceOnly !== currentProps.traceOnly)
state.createGeometry = true;
if (newProps.includeParent !== currentProps.includeParent)
state.createGeometry = true;
}
}, materialId);
}