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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2024 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 { StructureElement } from '../../mol-model/structure'; import { StateTransforms } from '../transforms'; import { StateSelection } from '../../mol-state'; import { isEmptyLoci, Loci } from '../../mol-model/loci'; import { Emissive } from '../../mol-theme/emissive'; const EmissiveManagerTag = 'emissive-controls'; export async function setStructureEmissive(plugin, components, value, lociGetter, types) { await eachRepr(plugin, components, async (update, repr, emissiveCell) => { 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 emissive // 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), value, }; if (emissiveCell) { const bundleLayers = [...emissiveCell.params.values.layers, layer]; const filtered = getFilteredBundle(bundleLayers, structure); update.to(emissiveCell).update(Emissive.toBundle(filtered)); } else { const filtered = getFilteredBundle([layer], structure); update.to(repr.transform.ref) .apply(StateTransforms.Representation.EmissiveStructureRepresentation3DFromBundle, Emissive.toBundle(filtered), { tags: EmissiveManagerTag }); } }); } export async function clearStructureEmissive(plugin, components, types) { await eachRepr(plugin, components, async (update, repr, emissiveCell) => { if (types && types.length > 0 && !types.includes(repr.params.values.type.name)) return; if (emissiveCell) { update.delete(emissiveCell.transform.ref); } }); } async function eachRepr(plugin, components, callback) { const state = plugin.state.data; const update = state.build(); for (const c of components) { for (const r of c.representations) { const emissive = state.select(StateSelection.Generators.ofTransformer(StateTransforms.Representation.EmissiveStructureRepresentation3DFromBundle, r.cell.transform.ref).withTag(EmissiveManagerTag)); await callback(update, r.cell, emissive[0]); } } return update.commit({ doNotUpdateCurrent: true }); } /** filter emissive layers for given structure */ function getFilteredBundle(layers, structure) { const emissive = Emissive.ofBundle(layers, structure.root); const merged = Emissive.merge(emissive); return Emissive.filter(merged, structure); }