/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Unit, Structure } from 'mol-model/structure'; import { RepresentationProps, Visual } from '../'; import { VisualUpdateState, StructureMeshParams, StructurePointsParams, StructureLinesParams, StructureDirectVolumeParams, StructureParams } from '.'; import { RuntimeContext } from 'mol-task'; import { PickingId } from '../../geometry/picking'; import { LocationIterator } from '../../util/location-iterator'; import { Mesh } from '../../geometry/mesh/mesh'; import { MarkerAction, applyMarkerAction, createMarkers } from '../../geometry/marker-data'; import { Loci, isEveryLoci, EmptyLoci } from 'mol-model/loci'; import { MeshRenderObject, PointsRenderObject, LinesRenderObject, DirectVolumeRenderObject } from 'mol-gl/render-object'; import { createUnitsMeshRenderObject, createUnitsPointsRenderObject, createUnitsTransform, createUnitsLinesRenderObject, createUnitsDirectVolumeRenderObject, UnitKind, UnitKindOptions, includesUnitKind, colorChanged, sizeChanged } from './visual/util/common'; import { deepEqual, ValueCell, UUID } from 'mol-util'; import { Interval } from 'mol-data/int'; import { Points } from '../../geometry/points/points'; import { updateRenderableState, Geometry } from '../../geometry/geometry'; import { createColors } from '../../geometry/color-data'; import { createSizes } from '../../geometry/size-data'; import { Lines } from '../../geometry/lines/lines'; import { MultiSelectParam, paramDefaultValues } from 'mol-util/parameter'; import { DirectVolume } from '../../geometry/direct-volume/direct-volume'; import { RenderableValues } from 'mol-gl/renderable/schema'; export type StructureGroup = { structure: Structure, group: Unit.SymmetryGroup } export interface UnitsVisual

extends Visual { } function sameGroupConformation(groupA: Unit.SymmetryGroup, groupB: Unit.SymmetryGroup) { return ( groupA.units.length === groupB.units.length && Unit.conformationId(groupA.units[0]) === Unit.conformationId(groupB.units[0]) ) } const UnitsParams = { ...StructureParams, unitKinds: MultiSelectParam('Unit Kind', '', ['atomic', 'spheres'], UnitKindOptions), } const DefaultUnitsProps = paramDefaultValues(UnitsParams) type UnitsProps = typeof DefaultUnitsProps type UnitsRenderObject = MeshRenderObject | LinesRenderObject | PointsRenderObject | DirectVolumeRenderObject interface UnitsVisualBuilder

{ defaultProps: P createGeometry(ctx: RuntimeContext, unit: Unit, structure: Structure, props: P, geometry?: G): Promise createLocationIterator(group: Unit.SymmetryGroup): LocationIterator getLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number): Loci mark(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean): boolean setUpdateState(state: VisualUpdateState, newProps: P, currentProps: P): void } interface UnitsVisualGeometryBuilder

extends UnitsVisualBuilder { createEmptyGeometry(geometry?: G): G createRenderObject(ctx: RuntimeContext, group: Unit.SymmetryGroup, geometry: Geometry, locationIt: LocationIterator, currentProps: P): Promise updateValues(values: RenderableValues, newProps: P): void } export function UnitsVisual

(builder: UnitsVisualGeometryBuilder): UnitsVisual

{ const { defaultProps, createGeometry, createLocationIterator, getLoci, mark, setUpdateState } = builder const { createEmptyGeometry, createRenderObject, updateValues } = builder const updateState = VisualUpdateState.create() let renderObject: UnitsRenderObject | undefined let currentProps: P let geometry: Geometry let currentGroup: Unit.SymmetryGroup let currentStructure: Structure let locationIt: LocationIterator let currentConformationId: UUID async function create(ctx: RuntimeContext, group: Unit.SymmetryGroup, props: Partial

= {}) { currentProps = Object.assign({}, defaultProps, props, { structure: currentStructure }) currentGroup = group const unit = group.units[0] currentConformationId = Unit.conformationId(unit) geometry = includesUnitKind(currentProps.unitKinds, unit) ? await createGeometry(ctx, unit, currentStructure, currentProps, geometry) : createEmptyGeometry(geometry) // TODO create empty location iterator when not in unitKinds locationIt = createLocationIterator(group) renderObject = await createRenderObject(ctx, group, geometry, locationIt, currentProps) } async function update(ctx: RuntimeContext, props: Partial

= {}) { if (!renderObject) return const newProps = Object.assign({}, currentProps, props, { structure: currentStructure }) const unit = currentGroup.units[0] locationIt.reset() VisualUpdateState.reset(updateState) setUpdateState(updateState, newProps, currentProps) const newConformationId = Unit.conformationId(unit) if (newConformationId !== currentConformationId) { currentConformationId = newConformationId updateState.createGeometry = true } if (currentGroup.units.length !== locationIt.instanceCount) updateState.updateTransform = true if (colorChanged(currentProps, newProps)) updateState.updateColor = true if (!deepEqual(newProps.unitKinds, currentProps.unitKinds)) updateState.createGeometry = true // if (updateState.updateTransform) { locationIt = createLocationIterator(currentGroup) const { instanceCount, groupCount } = locationIt createUnitsTransform(currentGroup, renderObject.values) createMarkers(instanceCount * groupCount, renderObject.values) updateState.updateColor = true } if (updateState.createGeometry) { geometry = includesUnitKind(newProps.unitKinds, unit) ? await createGeometry(ctx, unit, currentStructure, newProps, geometry) : createEmptyGeometry(geometry) ValueCell.update(renderObject.values.drawCount, Geometry.getDrawCount(geometry)) updateState.updateColor = true } if (updateState.updateSize) { // not all geometries have size data, so check here if ('uSize' in renderObject.values) { await createSizes(ctx, locationIt, newProps, renderObject.values) } } if (updateState.updateColor) { await createColors(ctx, locationIt, newProps, renderObject.values) } updateValues(renderObject.values, newProps) updateRenderableState(renderObject.state, newProps) currentProps = newProps } return { get renderObject () { return renderObject }, async createOrUpdate(ctx: RuntimeContext, props: Partial

= {}, structureGroup?: StructureGroup) { if (structureGroup) currentStructure = structureGroup.structure const group = structureGroup ? structureGroup.group : undefined if (!group && !currentGroup) { throw new Error('missing group') } else if (group && (!currentGroup || !renderObject)) { // console.log('unit-visual first create') await create(ctx, group, props) } else if (group && group.hashCode !== currentGroup.hashCode) { // console.log('unit-visual group.hashCode !== currentGroup.hashCode') await create(ctx, group, props) } else { // console.log('unit-visual update') if (group && !sameGroupConformation(group, currentGroup)) { // console.log('unit-visual new conformation') currentGroup = group } await update(ctx, props) } }, getLoci(pickingId: PickingId) { return renderObject ? getLoci(pickingId, currentGroup, renderObject.id) : EmptyLoci }, mark(loci: Loci, action: MarkerAction) { if (!renderObject) return false const { tMarker } = renderObject.values const { groupCount, instanceCount } = locationIt function apply(interval: Interval) { const start = Interval.start(interval) const end = Interval.end(interval) return applyMarkerAction(tMarker.ref.value.array, start, end, action) } let changed = false if (isEveryLoci(loci)) { changed = apply(Interval.ofBounds(0, groupCount * instanceCount)) } else { changed = mark(loci, currentGroup, apply) } if (changed) { ValueCell.update(tMarker, tMarker.ref.value) } return changed }, destroy() { // TODO renderObject = undefined } } } // mesh export const UnitsMeshParams = { ...StructureMeshParams, ...UnitsParams, } export const DefaultUnitsMeshProps = paramDefaultValues(UnitsMeshParams) export type UnitsMeshProps = typeof DefaultUnitsMeshProps export interface UnitsMeshVisualBuilder

extends UnitsVisualBuilder { } export function UnitsMeshVisual

(builder: UnitsMeshVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, setUpdateState: (state: VisualUpdateState, newProps: P, currentProps: P) => { builder.setUpdateState(state, newProps, currentProps) if (sizeChanged(currentProps, newProps)) state.createGeometry = true }, createEmptyGeometry: Mesh.createEmpty, createRenderObject: createUnitsMeshRenderObject, updateValues: Mesh.updateValues }) } // points export const UnitsPointsParams = { ...StructurePointsParams, ...UnitsParams, } export const DefaultUnitsPointsProps = paramDefaultValues(UnitsPointsParams) export type UnitsPointsProps = typeof DefaultUnitsPointsProps export interface UnitsPointVisualBuilder

extends UnitsVisualBuilder { } export function UnitsPointsVisual

(builder: UnitsPointVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, createEmptyGeometry: Points.createEmpty, createRenderObject: createUnitsPointsRenderObject, setUpdateState: (state: VisualUpdateState, newProps: P, currentProps: P) => { builder.setUpdateState(state, newProps, currentProps) if (sizeChanged(currentProps, newProps)) state.updateSize = true }, updateValues: Points.updateValues }) } // lines export const UnitsLinesParams = { ...StructureLinesParams, ...UnitsParams, } export const DefaultUnitsLinesProps = paramDefaultValues(UnitsLinesParams) export type UnitsLinesProps = typeof DefaultUnitsLinesProps export interface UnitsLinesVisualBuilder

extends UnitsVisualBuilder { } export function UnitsLinesVisual

(builder: UnitsLinesVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, createEmptyGeometry: Lines.createEmpty, createRenderObject: createUnitsLinesRenderObject, setUpdateState: (state: VisualUpdateState, newProps: P, currentProps: P) => { builder.setUpdateState(state, newProps, currentProps) if (sizeChanged(currentProps, newProps)) state.updateSize = true }, updateValues: Lines.updateValues }) } // direct-volume export const UnitsDirectVolumeParams = { ...StructureDirectVolumeParams, ...UnitsParams, } export const DefaultUnitsDirectVolumeProps = paramDefaultValues(UnitsDirectVolumeParams) export type UnitsDirectVolumeProps = typeof DefaultUnitsDirectVolumeProps export interface UnitsDirectVolumeVisualBuilder

extends UnitsVisualBuilder { } export function UnitsDirectVolumeVisual

(builder: UnitsDirectVolumeVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, createEmptyGeometry: DirectVolume.createEmpty, createRenderObject: createUnitsDirectVolumeRenderObject, setUpdateState: (state: VisualUpdateState, newProps: P, currentProps: P) => { builder.setUpdateState(state, newProps, currentProps) if (sizeChanged(currentProps, newProps)) state.createGeometry = true }, updateValues: DirectVolume.updateValues }) }