/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { getElementSphereVisual, ElementSphereParams } from '../visual/element-sphere'; import { IntraUnitBondVisual, IntraUnitBondParams } from '../visual/bond-intra-unit-cylinder'; import { InterUnitBondVisual, InterUnitBondParams } from '../visual/bond-inter-unit-cylinder'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { UnitsRepresentation } from '../units-representation'; import { ComplexRepresentation } from '../complex-representation'; import { StructureRepresentation, StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation'; import { Representation, RepresentationParamsGetter, RepresentationContext } from '../../../mol-repr/representation'; import { ThemeRegistryContext } from '../../../mol-theme/theme'; import { Structure } from '../../../mol-model/structure'; import { getUnitKindsParam } from '../params'; const BallAndStickVisuals = { 'element-sphere': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Element sphere mesh', ctx, getParams, getElementSphereVisual(ctx.webgl)), 'intra-bond': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Intra-unit bond cylinder', ctx, getParams, IntraUnitBondVisual), 'inter-bond': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => ComplexRepresentation('Inter-unit bond cylinder', ctx, getParams, InterUnitBondVisual), } export const BallAndStickParams = { ...ElementSphereParams, ...IntraUnitBondParams, ...InterUnitBondParams, unitKinds: getUnitKindsParam(['atomic']), sizeFactor: PD.Numeric(0.15, { min: 0.01, max: 10, step: 0.01 }), sizeAspectRatio: PD.Numeric(2/3, { min: 0.01, max: 3, step: 0.01 }), visuals: PD.MultiSelect(['element-sphere', 'intra-bond', 'inter-bond'], PD.objectToOptions(BallAndStickVisuals)) } export type BallAndStickParams = typeof BallAndStickParams export function getBallAndStickParams(ctx: ThemeRegistryContext, structure: Structure) { return PD.clone(BallAndStickParams) } export type BallAndStickRepresentation = StructureRepresentation export function BallAndStickRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter): BallAndStickRepresentation { return Representation.createMulti('Ball & Stick', ctx, getParams, StructureRepresentationStateBuilder, BallAndStickVisuals as unknown as Representation.Def) } export const BallAndStickRepresentationProvider = StructureRepresentationProvider({ name: 'ball-and-stick', label: 'Ball & Stick', description: 'Displays atoms as spheres and bonds as cylinders.', factory: BallAndStickRepresentation, getParams: getBallAndStickParams, defaultValues: PD.getDefaultValues(BallAndStickParams), defaultColorTheme: { name: 'element-symbol' }, defaultSizeTheme: { name: 'physical' }, isApplicable: (structure: Structure) => structure.elementCount > 0 })