/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { ElementSphereVisual, ElementSphereParams } from '../visual/element-sphere'; import { IntraUnitLinkVisual, IntraUnitLinkParams } from '../visual/intra-unit-link-cylinder'; import { InterUnitLinkVisual, InterUnitLinkParams } from '../visual/inter-unit-link-cylinder'; import { ParamDefinition as PD } from 'mol-util/param-definition'; import { UnitsRepresentation } from '../units-representation'; import { ComplexRepresentation } from '../complex-representation'; 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 { UnitKind, UnitKindOptions } from '../visual/util/common'; const BallAndStickVisuals = { 'element-sphere': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, ElementSphereParams>) => UnitsRepresentation('Element sphere mesh', ctx, getParams, ElementSphereVisual), 'intra-link': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, IntraUnitLinkParams>) => UnitsRepresentation('Intra-unit link cylinder', ctx, getParams, IntraUnitLinkVisual), 'inter-link': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, InterUnitLinkParams>) => ComplexRepresentation('Inter-unit link cylinder', ctx, getParams, InterUnitLinkVisual), } type BallAndStickVisualName = keyof typeof BallAndStickVisuals const BallAndStickVisualOptions = Object.keys(BallAndStickVisuals).map(name => [name, name] as [BallAndStickVisualName, string]) export const BallAndStickParams = { ...ElementSphereParams, ...IntraUnitLinkParams, ...InterUnitLinkParams, unitKinds: PD.MultiSelect<UnitKind>(['atomic'], UnitKindOptions), sizeFactor: PD.Numeric(0.3, { min: 0.01, max: 10, step: 0.01 }), sizeAspectRatio: PD.Numeric(2/3, { min: 0.01, max: 3, step: 0.01 }), visuals: PD.MultiSelect<BallAndStickVisualName>(['element-sphere', 'intra-link', 'inter-link'], BallAndStickVisualOptions), } export type BallAndStickParams = typeof BallAndStickParams export function getBallAndStickParams(ctx: ThemeRegistryContext, structure: Structure) { return PD.clone(BallAndStickParams) } export type BallAndStickRepresentation = StructureRepresentation<BallAndStickParams> export function BallAndStickRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, BallAndStickParams>): BallAndStickRepresentation { return Representation.createMulti('Ball & Stick', ctx, getParams, BallAndStickVisuals as unknown as Representation.Def<Structure, BallAndStickParams>) } export const BallAndStickRepresentationProvider: StructureRepresentationProvider<typeof BallAndStickParams> = { label: 'Ball & Stick', description: 'Displays atoms as spheres and bonds as cylinders.', factory: BallAndStickRepresentation, getParams: getBallAndStickParams, defaultValues: PD.getDefaultValues(BallAndStickParams), defaultColorTheme: 'element-symbol', defaultSizeTheme: 'uniform' }