/** * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Structure, Unit } from '../../../mol-model/structure'; import { Representation, RepresentationContext, RepresentationParamsGetter } from '../../../mol-repr/representation'; import { ThemeRegistryContext } from '../../../mol-theme/theme'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { StructureRepresentation, StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation'; import { UnitsRepresentation } from '../units-representation'; import { NucleotideBlockParams, NucleotideBlockVisual } from '../visual/nucleotide-block-mesh'; import { NucleotideRingParams, NucleotideRingVisual } from '../visual/nucleotide-ring-mesh'; import { PolymerDirectionParams, PolymerDirectionVisual } from '../visual/polymer-direction-wedge'; import { PolymerGapParams, PolymerGapVisual } from '../visual/polymer-gap-cylinder'; import { PolymerTraceParams, PolymerTraceVisual } from '../visual/polymer-trace-mesh'; import { SecondaryStructureProvider } from '../../../mol-model-props/computed/secondary-structure'; import { CustomProperty } from '../../../mol-model-props/common/custom-property'; import { HelixOrientationProvider } from '../../../mol-model-props/computed/helix-orientation'; const CartoonVisuals = { 'polymer-trace': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Polymer trace mesh', ctx, getParams, PolymerTraceVisual), 'polymer-gap': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Polymer gap cylinder', ctx, getParams, PolymerGapVisual), 'nucleotide-block': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Nucleotide block mesh', ctx, getParams, NucleotideBlockVisual), 'nucleotide-ring': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Nucleotide ring mesh', ctx, getParams, NucleotideRingVisual), 'direction-wedge': (ctx: RepresentationContext, getParams: RepresentationParamsGetter) => UnitsRepresentation('Polymer direction wedge', ctx, getParams, PolymerDirectionVisual) }; export const CartoonParams = { ...PolymerTraceParams, ...PolymerGapParams, ...NucleotideBlockParams, ...NucleotideRingParams, ...PolymerDirectionParams, sizeFactor: PD.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: PD.MultiSelect(['polymer-trace', 'polymer-gap', 'nucleotide-block'], PD.objectToOptions(CartoonVisuals)), }; export type CartoonParams = typeof CartoonParams export function getCartoonParams(ctx: ThemeRegistryContext, structure: Structure) { const params = PD.clone(CartoonParams); 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-trace']; if (hasNucleotides) params.visuals.defaultValue.push('nucleotide-block'); if (hasGaps) params.visuals.defaultValue.push('polymer-gap'); return params; } export type CartoonRepresentation = StructureRepresentation export function CartoonRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter): CartoonRepresentation { return Representation.createMulti('Cartoon', ctx, getParams, StructureRepresentationStateBuilder, CartoonVisuals as unknown as Representation.Def); } export const CartoonRepresentationProvider = StructureRepresentationProvider({ name: 'cartoon', label: 'Cartoon', description: 'Displays ribbons, planks, tubes smoothly following the trace atoms of polymers.', factory: CartoonRepresentation, getParams: getCartoonParams, defaultValues: PD.getDefaultValues(CartoonParams), defaultColorTheme: { name: 'chain-id' }, defaultSizeTheme: { name: 'uniform' }, isApplicable: (structure: Structure) => structure.polymerResidueCount > 0, ensureCustomProperties: { attach: async (ctx: CustomProperty.Context, structure: Structure) => { await SecondaryStructureProvider.attach(ctx, structure, void 0, true); for (const m of structure.models) { await HelixOrientationProvider.attach(ctx, m, void 0, true); } }, detach: (data) => { SecondaryStructureProvider.ref(data, false); for (const m of data.models) { HelixOrientationProvider.ref(m, false); } } } });