diff --git a/src/mol-repr/structure/visual/gaussian-density-point.ts b/src/mol-repr/structure/visual/gaussian-density-point.ts deleted file mode 100644 index f83f431163b9b78283cf2f9d805a3245fe015d7e..0000000000000000000000000000000000000000 --- a/src/mol-repr/structure/visual/gaussian-density-point.ts +++ /dev/null @@ -1,72 +0,0 @@ -/** - * 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 } from '../representation'; -import { VisualUpdateState } from '../../util'; -import { StructureElementIterator } from './util/element'; -import { EmptyLoci } from 'mol-model/loci'; -import { Vec3 } from 'mol-math/linear-algebra'; -import { UnitsPointsVisual, UnitsPointsParams } from '../units-visual'; -import { ParamDefinition as PD } from 'mol-util/param-definition'; -import { Points } from 'mol-geo/geometry/points/points'; -import { PointsBuilder } from 'mol-geo/geometry/points/points-builder'; -import { VisualContext } from 'mol-repr/visual'; -import { Theme } from 'mol-theme/theme'; -import { computeUnitGaussianDensity, GaussianDensityParams, GaussianDensityProps } from './util/gaussian'; - -export const GaussianDensityPointParams = { - ...UnitsPointsParams, - ...GaussianDensityParams, - pointSizeAttenuation: PD.Boolean(false), -} -export type GaussianDensityPointParams = typeof GaussianDensityPointParams - -export async function createGaussianDensityPoint(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: GaussianDensityProps, points?: Points) { - const { transform, field: { space, data } } = await computeUnitGaussianDensity(unit, props, ctx.webgl).runInContext(ctx.runtime) - - const { dimensions, get } = space - const [ xn, yn, zn ] = dimensions - - const n = xn * yn * zn * 3 - const builder = PointsBuilder.create(n, n / 10, points) - - const p = Vec3.zero() - let i = 0 - - for (let x = 0; x < xn; ++x) { - for (let y = 0; y < yn; ++y) { - for (let z = 0; z < zn; ++z) { - if (get(data, x, y, z) > 0.001) { - Vec3.set(p, x, y, z) - Vec3.transformMat4(p, p, transform) - builder.add(p[0], p[1], p[2], i) - } - if (i % 100000 === 0 && ctx.runtime.shouldUpdate) { - await ctx.runtime.update({ message: 'Creating density points', current: i, max: n }); - } - ++i - } - } - } - return builder.getPoints() -} - -export function GaussianDensityPointVisual(materialId: number): UnitsVisual<GaussianDensityPointParams> { - return UnitsPointsVisual<GaussianDensityPointParams>({ - defaultProps: PD.getDefaultValues(GaussianDensityPointParams), - createGeometry: createGaussianDensityPoint, - createLocationIterator: StructureElementIterator.fromGroup, - getLoci: () => EmptyLoci, - eachLocation: () => false, - setUpdateState: (state: VisualUpdateState, newProps: PD.Values<GaussianDensityPointParams>, currentProps: PD.Values<GaussianDensityPointParams>) => { - 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 - } - }, materialId) -} \ No newline at end of file