/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { Unit, Structure } from 'mol-model/structure'; import { UnitsVisual, VisualUpdateState } from '../index'; import { RuntimeContext } from 'mol-task' import { UnitsLinesVisual, UnitsLinesParams } from '../units-visual'; import { StructureElementIterator, getElementLoci, markElement } from './util/element'; import { GaussianDensityProps, GaussianDensityParams } from 'mol-model/structure/structure/unit/gaussian-density'; import { paramDefaultValues, SelectParam, NumberParam, BooleanParam } from 'mol-util/parameter'; import { SizeThemeName, SizeThemeOptions } from 'mol-theme/size'; import { Lines } from 'mol-geo/geometry/lines/lines'; import { computeMarchingCubesLines } from 'mol-geo/util/marching-cubes/algorithm'; async function createGaussianWireframe(ctx: RuntimeContext, unit: Unit, structure: Structure, props: GaussianDensityProps, lines?: Lines): Promise<Lines> { const { smoothness } = props const { transform, field, idField } = await unit.computeGaussianDensity(props, ctx) const params = { isoLevel: Math.exp(-smoothness), scalarField: field, idField } const wireframe = await computeMarchingCubesLines(params, lines).runAsChild(ctx) Lines.transformImmediate(wireframe, transform) return wireframe } export const GaussianWireframeParams = { ...UnitsLinesParams, ...GaussianDensityParams, sizeTheme: SelectParam<SizeThemeName>('Size Theme', '', 'uniform', SizeThemeOptions), sizeValue: NumberParam('Size Value', '', 2, 0, 10, 0.1), lineSizeAttenuation: BooleanParam('Line Size Attenuation', '', false), } export const DefaultGaussianWireframeProps = paramDefaultValues(GaussianWireframeParams) export type GaussianWireframeProps = typeof DefaultGaussianWireframeProps export function GaussianWireframeVisual(): UnitsVisual<GaussianWireframeProps> { return UnitsLinesVisual<GaussianWireframeProps>({ defaultProps: DefaultGaussianWireframeProps, createGeometry: createGaussianWireframe, createLocationIterator: StructureElementIterator.fromGroup, getLoci: getElementLoci, mark: markElement, setUpdateState: (state: VisualUpdateState, newProps: GaussianWireframeProps, currentProps: GaussianWireframeProps) => { 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.useGpu !== currentProps.useGpu) state.createGeometry = true if (newProps.ignoreCache !== currentProps.ignoreCache) state.createGeometry = true } }) }