/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose * @author David Sehnal */ import { Structure, Unit } from 'mol-model/structure'; import { Task } from 'mol-task' import { RenderObject } from 'mol-gl/render-object'; import { Visual, RepresentationContext, RepresentationParamsGetter, Representation } from '../representation'; import { Loci, EmptyLoci, isEmptyLoci } from 'mol-model/loci'; import { StructureGroup } from './units-visual'; import { StructureRepresentation, StructureParams } from './representation'; import { PickingId } from 'mol-geo/geometry/picking'; import { MarkerAction } from 'mol-geo/geometry/marker-data'; import { Theme, createEmptyTheme } from 'mol-theme/theme'; import { ParamDefinition as PD } from 'mol-util/param-definition'; import { UnitKind, UnitKindOptions } from './visual/util/common'; import { Subject } from 'rxjs'; export const UnitsParams = { ...StructureParams, unitKinds: PD.MultiSelect(['atomic', 'spheres'], UnitKindOptions), } export type UnitsParams = typeof UnitsParams export interface UnitsVisual

extends Visual { } export function UnitsRepresentation

(label: string, ctx: RepresentationContext, getParams: RepresentationParamsGetter, visualCtor: () => UnitsVisual

): StructureRepresentation

{ let version = 0 const updated = new Subject() const _state = Representation.createState() let visuals = new Map }>() let _structure: Structure let _groups: ReadonlyArray let _params: P let _props: PD.Values

let _theme = createEmptyTheme() function createOrUpdate(props: Partial> = {}, structure?: Structure) { if (structure && structure !== _structure) { _params = getParams(ctx, structure) if (!_props) _props = PD.getDefaultValues(_params) } _props = Object.assign({}, _props, props) return Task.create('Creating or updating UnitsRepresentation', async runtime => { if (!_structure && !structure) { throw new Error('missing structure') } else if (structure && !_structure) { // console.log(label, 'initial structure') // First call with a structure, create visuals for each group. _groups = structure.unitSymmetryGroups; for (let i = 0; i < _groups.length; i++) { const group = _groups[i]; const visual = visualCtor() await visual.createOrUpdate({ webgl: ctx.webgl, runtime }, _theme, _props, { group, structure }) visuals.set(group.hashCode, { visual, group }) } } else if (structure && !Structure.areEquivalent(structure, _structure)) { // console.log(label, 'structure not equivalent') // Tries to re-use existing visuals for the groups of the new structure. // Creates additional visuals if needed, destroys left-over visuals. _groups = structure.unitSymmetryGroups; // const newGroups: Unit.SymmetryGroup[] = [] const oldVisuals = visuals visuals = new Map() for (let i = 0; i < _groups.length; i++) { const group = _groups[i]; const visualGroup = oldVisuals.get(group.hashCode) if (visualGroup) { // console.log(label, 'found visualGroup to reuse') // console.log('old', visualGroup.group) // console.log('new', group) const { visual } = visualGroup await visual.createOrUpdate({ webgl: ctx.webgl, runtime }, _theme, _props, { group, structure }) visuals.set(group.hashCode, { visual, group }) oldVisuals.delete(group.hashCode) } else { // console.log(label, 'not found visualGroup to reuse, creating new') // newGroups.push(group) const visual = visualCtor() await visual.createOrUpdate({ webgl: ctx.webgl, runtime }, _theme, _props, { group, structure }) visuals.set(group.hashCode, { visual, group }) } } oldVisuals.forEach(({ visual }) => { // console.log(label, 'removed unused visual') visual.destroy() }) // TODO review logic // For new groups, re-use left-over visuals // const unusedVisuals: UnitsVisual

[] = [] // oldVisuals.forEach(({ visual }) => unusedVisuals.push(visual)) // newGroups.forEach(async group => { // const visual = unusedVisuals.pop() || visualCtor() // await visual.createOrUpdate({ ...ctx, runtime }, _props, group) // visuals.set(group.hashCode, { visual, group }) // }) // unusedVisuals.forEach(visual => visual.destroy()) } else if (structure && structure !== _structure && Structure.areEquivalent(structure, _structure)) { // console.log(label, 'structures equivalent but not identical') // Expects that for structures with the same hashCode, // the unitSymmetryGroups are the same as well. // Re-uses existing visuals for the groups of the new structure. _groups = structure.unitSymmetryGroups; // console.log('new', structure.unitSymmetryGroups) // console.log('old', _structure.unitSymmetryGroups) for (let i = 0; i < _groups.length; i++) { const group = _groups[i]; const visualGroup = visuals.get(group.hashCode) if (visualGroup) { await visualGroup.visual.createOrUpdate({ webgl: ctx.webgl, runtime }, _theme, _props, { group, structure }) visualGroup.group = group } else { throw new Error(`expected to find visual for hashCode ${group.hashCode}`) } } } else { // console.log(label, 'no new structure') // No new structure given, just update all visuals with new props. const visualsList: [ UnitsVisual

, Unit.SymmetryGroup ][] = [] // TODO avoid allocation visuals.forEach(({ visual, group }) => visualsList.push([ visual, group ])) for (let i = 0, il = visualsList.length; i < il; ++i) { const [ visual ] = visualsList[i] await visual.createOrUpdate({ webgl: ctx.webgl, runtime }, _theme, _props) } } if (structure) _structure = structure updated.next(version++) }); } function getLoci(pickingId: PickingId) { let loci: Loci = EmptyLoci visuals.forEach(({ visual }) => { const _loci = visual.getLoci(pickingId) if (!isEmptyLoci(_loci)) loci = _loci }) return loci } function mark(loci: Loci, action: MarkerAction) { let changed = false visuals.forEach(({ visual }) => { changed = visual.mark(loci, action) || changed }) return changed } function setState(state: Partial) { if (state.visible !== undefined) visuals.forEach(({ visual }) => visual.setVisibility(state.visible!)) if (state.pickable !== undefined) visuals.forEach(({ visual }) => visual.setPickable(state.pickable!)) Representation.updateState(_state, state) } function setTheme(theme: Theme) { _theme = theme } function destroy() { visuals.forEach(({ visual }) => visual.destroy()) visuals.clear() } return { label, get groupCount() { let groupCount = 0 visuals.forEach(({ visual }) => { if (visual.renderObject) groupCount += visual.groupCount }) return groupCount }, get renderObjects() { const renderObjects: RenderObject[] = [] visuals.forEach(({ visual }) => { if (visual.renderObject) renderObjects.push(visual.renderObject) }) return renderObjects }, get props() { return _props }, get params() { return _params }, get state() { return _state }, get theme() { return _theme }, updated, createOrUpdate, setState, setTheme, getLoci, mark, destroy } }