/** * 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 { Representation, RepresentationParamsGetter, RepresentationContext } 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 { InteractionsIntraUnitParams, InteractionsIntraUnitVisual } from './interactions-intra-unit-cylinder'; import { UnitKindOptions, UnitKind } from '../../../mol-repr/structure/visual/util/common'; import { InteractionsProvider } from '../interactions'; import { InteractionsInterUnitParams, InteractionsInterUnitVisual } from './interactions-inter-unit-cylinder'; import { CustomProperty } from '../../common/custom-property'; const InteractionsVisuals = { 'intra-unit': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Intra-unit interactions cylinder', ctx, getParams, InteractionsIntraUnitVisual), 'inter-unit': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => ComplexRepresentation('Inter-unit interactions cylinder', ctx, getParams, InteractionsInterUnitVisual), } export const InteractionsParams = { ...InteractionsIntraUnitParams, ...InteractionsInterUnitParams, unitKinds: PD.MultiSelect(['atomic'], UnitKindOptions), sizeFactor: PD.Numeric(0.3, { min: 0.01, max: 10, step: 0.01 }), visuals: PD.MultiSelect(['intra-unit', 'inter-unit'], PD.objectToOptions(InteractionsVisuals)), } export type InteractionsParams = typeof InteractionsParams export function getInteractionParams(ctx: ThemeRegistryContext, structure: Structure) { return PD.clone(InteractionsParams) } export type InteractionRepresentation = StructureRepresentation export function InteractionRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter): InteractionRepresentation { return Representation.createMulti('Interactions', ctx, getParams, StructureRepresentationStateBuilder, InteractionsVisuals as unknown as Representation.Def) } export const InteractionsRepresentationProvider: StructureRepresentationProvider = { label: 'Non-covalent Interactions', description: 'Displays non-covalent interactions as dashed cylinders.', factory: InteractionRepresentation, getParams: getInteractionParams, defaultValues: PD.getDefaultValues(InteractionsParams), defaultColorTheme: { name: 'interaction-type' }, defaultSizeTheme: { name: 'uniform' }, isApplicable: (structure: Structure) => structure.elementCount > 0, ensureCustomProperties: { attach: (ctx: CustomProperty.Context, structure: Structure) => InteractionsProvider.attach(ctx, structure, void 0, true), detach: (_, data) => InteractionsProvider.ref(data, false) } }