/** * Copyright (c) 2019-2023 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author David Sehnal <david.sehnal@gmail.com> */ import { Structure, StructureElement } from '../../mol-model/structure'; import { PluginStateObject } from '../../mol-plugin-state/objects'; import { StateTransforms } from '../../mol-plugin-state/transforms'; import { PluginContext } from '../../mol-plugin/context'; import { StateBuilder, StateObjectCell, StateSelection, StateTransform } from '../../mol-state'; import { Overpaint } from '../../mol-theme/overpaint'; import { Color } from '../../mol-util/color'; import { StructureComponentRef } from '../manager/structure/hierarchy-state'; import { EmptyLoci, isEmptyLoci, Loci } from '../../mol-model/loci'; type OverpaintEachReprCallback = (update: StateBuilder.Root, repr: StateObjectCell<PluginStateObject.Molecule.Structure.Representation3D, StateTransform<typeof StateTransforms.Representation.StructureRepresentation3D>>, overpaint?: StateObjectCell<any, StateTransform<typeof StateTransforms.Representation.OverpaintStructureRepresentation3DFromBundle>>) => Promise<void> const OverpaintManagerTag = 'overpaint-controls'; export async function setStructureOverpaint(plugin: PluginContext, components: StructureComponentRef[], color: Color | -1, lociGetter: (structure: Structure) => Promise<StructureElement.Loci | EmptyLoci>, types?: string[]) { await eachRepr(plugin, components, async (update, repr, overpaintCell) => { if (types && types.length > 0 && !types.includes(repr.params!.values.type.name)) return; const structure = repr.obj!.data.sourceData; // always use the root structure to get the loci so the overpaint // stays applicable as long as the root structure does not change const loci = await lociGetter(structure.root); if (Loci.isEmpty(loci) || isEmptyLoci(loci)) return; const layer = { bundle: StructureElement.Bundle.fromLoci(loci), color: color === -1 ? Color(0) : color, clear: color === -1 }; if (overpaintCell) { const bundleLayers = [...overpaintCell.params!.values.layers, layer]; const filtered = getFilteredBundle(bundleLayers, structure); update.to(overpaintCell).update(Overpaint.toBundle(filtered)); } else { const filtered = getFilteredBundle([layer], structure); update.to(repr.transform.ref) .apply(StateTransforms.Representation.OverpaintStructureRepresentation3DFromBundle, Overpaint.toBundle(filtered), { tags: OverpaintManagerTag }); } }); } export async function clearStructureOverpaint(plugin: PluginContext, components: StructureComponentRef[], types?: string[]) { await eachRepr(plugin, components, async (update, repr, overpaintCell) => { if (types && types.length > 0 && !types.includes(repr.params!.values.type.name)) return; if (overpaintCell) { update.delete(overpaintCell.transform.ref); } }); } async function eachRepr(plugin: PluginContext, components: StructureComponentRef[], callback: OverpaintEachReprCallback) { const state = plugin.state.data; const update = state.build(); for (const c of components) { for (const r of c.representations) { const overpaint = state.select(StateSelection.Generators.ofTransformer(StateTransforms.Representation.OverpaintStructureRepresentation3DFromBundle, r.cell.transform.ref).withTag(OverpaintManagerTag)); await callback(update, r.cell, overpaint[0]); } } return update.commit({ doNotUpdateCurrent: true }); } /** filter overpaint layers for given structure */ function getFilteredBundle(layers: Overpaint.BundleLayer[], structure: Structure) { const overpaint = Overpaint.ofBundle(layers, structure.root); const merged = Overpaint.merge(overpaint); return Overpaint.filter(merged, structure) as Overpaint<StructureElement.Loci>; }