molstar
Version:
A comprehensive macromolecular library.
62 lines (61 loc) • 3.17 kB
JavaScript
;
/**
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.MolecularSurfaceWireframeParams = void 0;
exports.MolecularSurfaceWireframeVisual = MolecularSurfaceWireframeVisual;
const param_definition_1 = require("../../../mol-util/param-definition");
const units_visual_1 = require("../units-visual");
const molecular_surface_1 = require("../../../mol-math/geometry/molecular-surface");
const lines_1 = require("../../../mol-geo/geometry/lines/lines");
const molecular_surface_2 = require("./util/molecular-surface");
const algorithm_1 = require("../../../mol-geo/util/marching-cubes/algorithm");
const element_1 = require("./util/element");
const common_1 = require("./util/common");
const geometry_1 = require("../../../mol-math/geometry");
exports.MolecularSurfaceWireframeParams = {
...units_visual_1.UnitsLinesParams,
...molecular_surface_1.MolecularSurfaceCalculationParams,
...common_1.CommonSurfaceParams,
sizeFactor: param_definition_1.ParamDefinition.Numeric(1.5, { min: 0, max: 10, step: 0.1 }),
};
//
async function createMolecularSurfaceWireframe(ctx, unit, structure, theme, props, lines) {
const { transform, field, idField, maxRadius } = await (0, molecular_surface_2.computeUnitMolecularSurface)(structure, unit, theme.size, props).runInContext(ctx.runtime);
const params = {
isoLevel: props.probeRadius,
scalarField: field,
idField
};
const wireframe = await (0, algorithm_1.computeMarchingCubesLines)(params, lines).runAsChild(ctx.runtime);
lines_1.Lines.transform(wireframe, transform);
const sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, maxRadius);
wireframe.setBoundingSphere(sphere);
return wireframe;
}
function MolecularSurfaceWireframeVisual(materialId) {
return (0, units_visual_1.UnitsLinesVisual)({
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.MolecularSurfaceWireframeParams),
createGeometry: createMolecularSurfaceWireframe,
createLocationIterator: element_1.ElementIterator.fromGroup,
getLoci: element_1.getElementLoci,
eachLocation: element_1.eachElement,
setUpdateState: (state, newProps, currentProps) => {
if (newProps.resolution !== currentProps.resolution)
state.createGeometry = true;
if (newProps.probeRadius !== currentProps.probeRadius)
state.createGeometry = true;
if (newProps.probePositions !== currentProps.probePositions)
state.createGeometry = true;
if (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens)
state.createGeometry = true;
if (newProps.ignoreHydrogensVariant !== currentProps.ignoreHydrogensVariant)
state.createGeometry = true;
if (newProps.includeParent !== currentProps.includeParent)
state.createGeometry = true;
}
}, materialId);
}