/** * 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 '..'; import { RuntimeContext } from 'mol-task' import { Mesh } from '../../../geometry/mesh/mesh'; import { UnitsMeshVisual, DefaultUnitsMeshProps } from '../units-visual'; import { StructureElementIterator, getElementLoci, markElement } from './util/element'; import { computeMarchingCubes } from '../../../util/marching-cubes/algorithm'; import { computeGaussianDensity, DefaultGaussianDensityProps } from './util/gaussian'; async function createGaussianSurfaceMesh(ctx: RuntimeContext, unit: Unit, structure: Structure, props: GaussianSurfaceProps, mesh?: Mesh): Promise<Mesh> { const { smoothness } = props const { transform, field, idField } = await computeGaussianDensity(unit, structure, props).runAsChild(ctx) const surface = await computeMarchingCubes({ isoLevel: Math.exp(-smoothness), scalarField: field, idField, oldSurface: mesh }).runAsChild(ctx) Mesh.transformImmediate(surface, transform) Mesh.computeNormalsImmediate(surface) Mesh.uniformTriangleGroup(surface) return surface; } export const DefaultGaussianSurfaceProps = { ...DefaultUnitsMeshProps, ...DefaultGaussianDensityProps, } export type GaussianSurfaceProps = typeof DefaultGaussianSurfaceProps export function GaussianSurfaceVisual(): UnitsVisual<GaussianSurfaceProps> { return UnitsMeshVisual<GaussianSurfaceProps>({ defaultProps: DefaultGaussianSurfaceProps, createMesh: createGaussianSurfaceMesh, createLocationIterator: StructureElementIterator.fromGroup, getLoci: getElementLoci, mark: markElement, setUpdateState: (state: VisualUpdateState, newProps: GaussianSurfaceProps, currentProps: GaussianSurfaceProps) => { if (newProps.resolutionFactor !== currentProps.resolutionFactor) state.createGeometry = true if (newProps.radiusOffset !== currentProps.radiusOffset) state.createGeometry = true if (newProps.smoothness !== currentProps.smoothness) state.createGeometry = true } }) }