/** * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { PolymerTubeVisual, PolymerTubeParams } from '../visual/polymer-tube-mesh'; import { PolymerGapVisual, PolymerGapParams } from '../visual/polymer-gap-cylinder'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { UnitsRepresentation } from '../units-representation'; import { StructureRepresentation, StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation'; import { Representation, RepresentationParamsGetter, RepresentationContext } from '../../../mol-repr/representation'; import { Structure, Unit } from '../../../mol-model/structure'; import { ThemeRegistryContext } from '../../../mol-theme/theme'; const PuttyVisuals = { 'polymer-tube': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, PolymerTubeParams>) => UnitsRepresentation('Polymer tube mesh', ctx, getParams, PolymerTubeVisual), 'polymer-gap': (ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, PolymerGapParams>) => UnitsRepresentation('Polymer gap cylinder', ctx, getParams, PolymerGapVisual), } type PuttyVisualName = keyof typeof PuttyVisuals const PuttyVisualOptions = Object.keys(PuttyVisuals).map(name => [name, name] as [PuttyVisualName, string]) export const PuttyParams = { ...PolymerTubeParams, ...PolymerGapParams, sizeFactor: PD.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: PD.MultiSelect<PuttyVisualName>(['polymer-tube', 'polymer-gap'], PuttyVisualOptions), } export type PuttyParams = typeof PuttyParams export function getPuttyParams(ctx: ThemeRegistryContext, structure: Structure) { const params = PD.clone(PuttyParams) let hasNucleotides = false let hasGaps = false structure.units.forEach(u => { if (!hasNucleotides && Unit.isAtomic(u) && u.nucleotideElements.length) hasNucleotides = true if (!hasGaps && u.gapElements.length) hasGaps = true }) params.visuals.defaultValue = ['polymer-tube'] if (hasGaps) params.visuals.defaultValue.push('polymer-gap') return params } export type PuttyRepresentation = StructureRepresentation<PuttyParams> export function PuttyRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, PuttyParams>): PuttyRepresentation { return Representation.createMulti('Putty', ctx, getParams, StructureRepresentationStateBuilder, PuttyVisuals as unknown as Representation.Def<Structure, PuttyParams>) } export const PuttyRepresentationProvider: StructureRepresentationProvider<PuttyParams> = { label: 'Putty', description: 'Displays a tube smoothly following the trace atoms of polymers.', factory: PuttyRepresentation, getParams: getPuttyParams, defaultValues: PD.getDefaultValues(PuttyParams), defaultColorTheme: 'polymer-id', defaultSizeTheme: 'uncertainty', isApplicable: (structure: Structure) => structure.polymerResidueCount > 0 }