/** * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { RepresentationParamsGetter, RepresentationContext, Representation } from '../../../mol-repr/representation'; import { ThemeRegistryContext } from '../../../mol-theme/theme'; import { Structure } from '../../../mol-model/structure'; import { UnitsRepresentation, StructureRepresentation, StructureRepresentationStateBuilder, StructureRepresentationProvider, ComplexRepresentation } from '../../../mol-repr/structure/representation'; import { EllipsoidMeshParams, EllipsoidMeshVisual } from '../visual/ellipsoid-mesh'; import { AtomSiteAnisotrop } from '../../../mol-model-formats/structure/property/anisotropic'; import { IntraUnitBondParams, IntraUnitBondVisual } from '../visual/bond-intra-unit-cylinder'; import { InterUnitBondParams, InterUnitBondVisual } from '../visual/bond-inter-unit-cylinder'; import { getUnitKindsParam } from '../params'; const EllipsoidVisuals = { 'ellipsoid-mesh': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Ellipsoid Mesh', ctx, getParams, EllipsoidMeshVisual), '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 EllipsoidParams = { ...EllipsoidMeshParams, ...IntraUnitBondParams, ...InterUnitBondParams, unitKinds: getUnitKindsParam(['atomic']), sizeFactor: PD.Numeric(1, { min: 0.01, max: 10, step: 0.01 }), sizeAspectRatio: PD.Numeric(0.1, { min: 0.01, max: 3, step: 0.01 }), bondCap: PD.Boolean(true), visuals: PD.MultiSelect(['ellipsoid-mesh', 'intra-bond', 'inter-bond'], PD.objectToOptions(EllipsoidVisuals)), } export type EllipsoidParams = typeof EllipsoidParams export function getEllipsoidParams(ctx: ThemeRegistryContext, structure: Structure) { return PD.clone(EllipsoidParams) } export type EllipsoidRepresentation = StructureRepresentation export function EllipsoidRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter): EllipsoidRepresentation { return Representation.createMulti('Ellipsoid', ctx, getParams, StructureRepresentationStateBuilder, EllipsoidVisuals as unknown as Representation.Def) } export const EllipsoidRepresentationProvider = StructureRepresentationProvider({ name: 'ellipsoid', label: 'Ellipsoid', description: 'Displays anisotropic displacement ellipsoids of atomic elements plus bonds as cylinders.', factory: EllipsoidRepresentation, getParams: getEllipsoidParams, defaultValues: PD.getDefaultValues(EllipsoidParams), defaultColorTheme: { name: 'element-symbol' }, defaultSizeTheme: { name: 'uniform' }, isApplicable: (structure: Structure) => structure.elementCount > 0 && structure.models.some(m => m.customProperties.has(AtomSiteAnisotrop.Descriptor)) })