/** * 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 { DefaultStructureMeshProps, VisualUpdateState, DefaultStructurePointProps } 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, PointRenderObject } from 'mol-gl/render-object'; import { createUnitsMeshRenderObject, createUnitsPointRenderObject, createUnitsTransform } from './visual/util/common'; import { deepEqual, ValueCell, UUID } from 'mol-util'; import { Interval } from 'mol-data/int'; import { Point } from '../../geometry/point/point'; import { updateRenderableState } from '../../geometry/geometry'; import { createColors } from '../../geometry/color-data'; export type StructureGroup = { structure: Structure, group: Unit.SymmetryGroup } export interface UnitsVisual

extends Visual { } export const DefaultUnitsMeshProps = { ...DefaultStructureMeshProps, unitKinds: [ Unit.Kind.Atomic, Unit.Kind.Spheres ] as Unit.Kind[] } export type UnitsMeshProps = typeof DefaultUnitsMeshProps export interface UnitsMeshVisualBuilder

{ defaultProps: P createMesh(ctx: RuntimeContext, unit: Unit, structure: Structure, props: P, mesh?: Mesh): 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 } export function UnitsMeshVisual

(builder: UnitsMeshVisualBuilder

): UnitsVisual

{ const { defaultProps, createMesh, createLocationIterator, getLoci, mark, setUpdateState } = builder const updateState = VisualUpdateState.create() let renderObject: MeshRenderObject | undefined let currentProps: P let mesh: Mesh 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) currentProps.colorTheme.structure = currentStructure currentGroup = group const unit = group.units[0] currentConformationId = Unit.conformationId(unit) mesh = currentProps.unitKinds.includes(unit.kind) ? await createMesh(ctx, unit, currentStructure, currentProps, mesh) : Mesh.createEmpty(mesh) // TODO create empty location iterator when not in unitKinds locationIt = createLocationIterator(group) renderObject = await createUnitsMeshRenderObject(ctx, group, mesh, locationIt, currentProps) } async function update(ctx: RuntimeContext, props: Partial

= {}) { if (!renderObject) return const newProps = Object.assign({}, currentProps, props) newProps.colorTheme.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 (!deepEqual(newProps.sizeTheme, currentProps.sizeTheme)) updateState.createGeometry = true if (!deepEqual(newProps.colorTheme, currentProps.colorTheme)) 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) { mesh = newProps.unitKinds.includes(unit.kind) ? await createMesh(ctx, unit, currentStructure, newProps, mesh) : Mesh.createEmpty(mesh) ValueCell.update(renderObject.values.drawCount, mesh.triangleCount * 3) updateState.updateColor = true } if (updateState.updateColor) { await createColors(ctx, locationIt, newProps.colorTheme, renderObject.values) } // TODO why do I need to cast here? Mesh.updateValues(renderObject.values, newProps as UnitsMeshProps) updateRenderableState(renderObject.state, newProps as UnitsMeshProps) 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 } } } 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]) ) } // export const DefaultUnitsPointProps = { ...DefaultStructurePointProps, unitKinds: [ Unit.Kind.Atomic, Unit.Kind.Spheres ] as Unit.Kind[] } export type UnitsPointProps = typeof DefaultUnitsPointProps export interface UnitsPointVisualBuilder

{ defaultProps: P createPoint(ctx: RuntimeContext, unit: Unit, structure: Structure, props: P, point?: Point): 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 } export function UnitsPointVisual

(builder: UnitsPointVisualBuilder

): UnitsVisual

{ const { defaultProps, createPoint, createLocationIterator, getLoci, mark, setUpdateState } = builder const updateState = VisualUpdateState.create() let renderObject: PointRenderObject | undefined let currentProps: P let point: Point 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) currentProps.colorTheme.structure = currentStructure currentGroup = group const unit = group.units[0] currentConformationId = Unit.conformationId(unit) point = currentProps.unitKinds.includes(unit.kind) ? await createPoint(ctx, unit, currentStructure, currentProps, point) : Point.createEmpty(point) // TODO create empty location iterator when not in unitKinds locationIt = createLocationIterator(group) renderObject = await createUnitsPointRenderObject(ctx, group, point, locationIt, currentProps) } async function update(ctx: RuntimeContext, props: Partial

= {}) { if (!renderObject) return const newProps = Object.assign({}, currentProps, props) newProps.colorTheme.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 (!deepEqual(newProps.sizeTheme, currentProps.sizeTheme)) updateState.createGeometry = true if (!deepEqual(newProps.colorTheme, currentProps.colorTheme)) 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) { point = newProps.unitKinds.includes(unit.kind) ? await createPoint(ctx, unit, currentStructure, newProps, point) : Point.createEmpty(point) ValueCell.update(renderObject.values.drawCount, point.vertexCount) updateState.updateColor = true } if (updateState.updateColor) { await createColors(ctx, locationIt, newProps.colorTheme, renderObject.values) } // TODO why do I need to cast here? Point.updateValues(renderObject.values, newProps as UnitsPointProps) updateRenderableState(renderObject.state, newProps as UnitsPointProps) 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 } } }