/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { GaussianSurfaceVisual, GaussianSurfaceParams } from '../visual/gaussian-surface-mesh'; import { UnitsRepresentation } from '../units-representation'; import { GaussianWireframeVisual, GaussianWireframeParams } from '../visual/gaussian-surface-wireframe'; import { ParamDefinition as PD } from 'mol-util/param-definition'; import { GaussianDensityVolumeParams, GaussianDensityVolumeVisual } from '../visual/gaussian-density-volume'; import { StructureRepresentation, StructureRepresentationProvider } from '../representation'; import { Representation, RepresentationParamsGetter, RepresentationContext } from 'mol-repr/representation'; import { ThemeRegistryContext } from 'mol-theme/theme'; import { Structure } from 'mol-model/structure'; import { BuiltInColorThemeOptions, getBuiltInColorThemeParams } from 'mol-theme/color'; const MolecularSurfaceVisuals = { 'gaussian-surface': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Gaussian surface', ctx, getParams, GaussianSurfaceVisual), 'gaussian-wireframe': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Gaussian wireframe', ctx, getParams, GaussianWireframeVisual), 'gaussian-volume': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Gaussian volume', ctx, getParams, GaussianDensityVolumeVisual) } type MolecularSurfaceVisualName = keyof typeof MolecularSurfaceVisuals const MolecularSurfaceVisualOptions = Object.keys(MolecularSurfaceVisuals).map(name => [name, name] as [MolecularSurfaceVisualName, string]) export const MolecularSurfaceParams = { ...GaussianSurfaceParams, ...GaussianWireframeParams, ...GaussianDensityVolumeParams, colorTheme: PD.Mapped('polymer-id', BuiltInColorThemeOptions, getBuiltInColorThemeParams), visuals: PD.MultiSelect(['gaussian-surface'], MolecularSurfaceVisualOptions), } PD.getDefaultValues(MolecularSurfaceParams).colorTheme.name export type MolecularSurfaceParams = typeof MolecularSurfaceParams export function getMolecularSurfaceParams(ctx: ThemeRegistryContext, structure: Structure) { return PD.clone(MolecularSurfaceParams) } export type MolecularSurfaceRepresentation = StructureRepresentation export function MolecularSurfaceRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter): MolecularSurfaceRepresentation { return Representation.createMulti('Molecular Surface', ctx, getParams, MolecularSurfaceVisuals as unknown as Representation.Def) } export const MolecularSurfaceRepresentationProvider: StructureRepresentationProvider = { label: 'Molecular Surface', description: 'Displays a gaussian molecular surface.', factory: MolecularSurfaceRepresentation, getParams: getMolecularSurfaceParams, defaultValues: PD.getDefaultValues(MolecularSurfaceParams) }