/** * 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 } from '../representation'; import { Visual, VisualContext } from '../visual'; import { StructureMeshParams, StructurePointsParams, StructureLinesParams, StructureDirectVolumeParams, StructureSpheresParams } from './representation'; import { Loci, isEveryLoci, EmptyLoci } from 'mol-model/loci'; import { GraphicsRenderObject, createRenderObject } from 'mol-gl/render-object'; import { deepEqual, ValueCell } from 'mol-util'; import { Interval } from 'mol-data/int'; import { ParamDefinition as PD } from 'mol-util/param-definition'; import { Geometry, GeometryUtils } from 'mol-geo/geometry/geometry'; import { LocationIterator } from 'mol-geo/util/location-iterator'; import { PickingId } from 'mol-geo/geometry/picking'; import { createMarkers, MarkerAction, applyMarkerAction } from 'mol-geo/geometry/marker-data'; import { createSizes } from 'mol-geo/geometry/size-data'; import { createColors } from 'mol-geo/geometry/color-data'; import { Mesh } from 'mol-geo/geometry/mesh/mesh'; import { Points } from 'mol-geo/geometry/points/points'; import { Lines } from 'mol-geo/geometry/lines/lines'; import { DirectVolume } from 'mol-geo/geometry/direct-volume/direct-volume'; import { VisualUpdateState } from 'mol-repr/util'; import { Theme, createEmptyTheme } from 'mol-theme/theme'; import { ColorTheme } from 'mol-theme/color'; import { SizeTheme } from 'mol-theme/size'; import { UnitsParams } from './units-representation'; import { Mat4 } from 'mol-math/linear-algebra'; import { Spheres } from 'mol-geo/geometry/spheres/spheres'; import { createUnitsTransform, includesUnitKind } from './visual/util/common'; import { Overpaint } from 'mol-theme/overpaint'; import { applyOverpaintColor, createOverpaint } from 'mol-geo/geometry/overpaint-data'; export type StructureGroup = { structure: Structure, group: Unit.SymmetryGroup } export interface UnitsVisual

extends Visual { } function createUnitsRenderObject(group: Unit.SymmetryGroup, geometry: G, locationIt: LocationIterator, theme: Theme, props: PD.Values>) { const { createValues, createRenderableState } = Geometry.getUtils(geometry) const transform = createUnitsTransform(group) const values = createValues(geometry, transform, locationIt, theme, props) const state = createRenderableState(props) return createRenderObject(geometry.kind, values, state) } interface UnitsVisualBuilder

{ defaultProps: PD.Values

createGeometry(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values

, geometry?: G): Promise | G createLocationIterator(group: Unit.SymmetryGroup): LocationIterator getLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number): Loci eachLocation(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean): boolean setUpdateState(state: VisualUpdateState, newProps: PD.Values

, currentProps: PD.Values

, newTheme: Theme, currentTheme: Theme): void } interface UnitsVisualGeometryBuilder

extends UnitsVisualBuilder { geometryUtils: GeometryUtils } export function UnitsVisual>(builder: UnitsVisualGeometryBuilder): UnitsVisual

{ const { defaultProps, createGeometry, createLocationIterator, getLoci, eachLocation, setUpdateState } = builder const { createEmpty: createEmptyGeometry, updateValues, updateBoundingSphere, updateRenderableState } = builder.geometryUtils const updateState = VisualUpdateState.create() let renderObject: GraphicsRenderObject | undefined let newProps: PD.Values

= Object.assign({}, defaultProps) let newTheme: Theme = createEmptyTheme() let newStructureGroup: StructureGroup let currentProps: PD.Values

let currentTheme: Theme let currentStructureGroup: StructureGroup let geometry: G let locationIt: LocationIterator function prepareUpdate(theme: Theme, props: Partial> = {}, structureGroup: StructureGroup) { if (!structureGroup && !currentStructureGroup) { throw new Error('missing structureGroup') } newProps = Object.assign({}, currentProps, props) newTheme = theme newStructureGroup = structureGroup VisualUpdateState.reset(updateState) if (!renderObject) { updateState.createNew = true } else if (!currentStructureGroup || !Unit.SymmetryGroup.areInvariantElementsEqual(newStructureGroup.group, currentStructureGroup.group)) { updateState.createNew = true } if (updateState.createNew) { updateState.createGeometry = true return } setUpdateState(updateState, newProps, currentProps, theme, currentTheme) if (!ColorTheme.areEqual(theme.color, currentTheme.color)) { // console.log('new colorTheme') updateState.updateColor = true } if (!deepEqual(newProps.unitKinds, currentProps.unitKinds)) { // console.log('new unitKinds') updateState.createGeometry = true } if (newStructureGroup.group.transformHash !== currentStructureGroup.group.transformHash) { // console.log('new transformHash') if (newStructureGroup.group.units.length !== currentStructureGroup.group.units.length || updateState.updateColor) { updateState.updateTransform = true } else { updateState.updateMatrix = true } } // check if the conformation of unit.model has changed if (Unit.conformationId(newStructureGroup.group.units[0]) !== Unit.conformationId(currentStructureGroup.group.units[0])) { // console.log('new conformation') updateState.createGeometry = true } if (updateState.updateTransform) { updateState.updateColor = true updateState.updateSize = true updateState.updateMatrix = true } if (updateState.createGeometry) { updateState.updateColor = true updateState.updateSize = true } } function update(newGeometry?: G) { if (updateState.createNew) { locationIt = createLocationIterator(newStructureGroup.group) if (newGeometry) { renderObject = createUnitsRenderObject(newStructureGroup.group, newGeometry, locationIt, newTheme, newProps) } else { throw new Error('expected geometry to be given') } } else { if (!renderObject) { throw new Error('expected renderObject to be available') } if (updateState.updateTransform) { // console.log('update transform') locationIt = createLocationIterator(newStructureGroup.group) const { instanceCount, groupCount } = locationIt createMarkers(instanceCount * groupCount, renderObject.values) } if (updateState.updateMatrix) { // console.log('update matrix') createUnitsTransform(newStructureGroup.group, renderObject.values) } if (updateState.createGeometry) { // console.log('update geometry') if (newGeometry) { ValueCell.update(renderObject.values.drawCount, Geometry.getDrawCount(newGeometry)) } else { throw new Error('expected geometry to be given') } } if (updateState.updateTransform || updateState.createGeometry) { // console.log('UnitsVisual.updateBoundingSphere') updateBoundingSphere(renderObject.values, newGeometry || geometry) } if (updateState.updateSize) { // not all geometries have size data, so check here if ('uSize' in renderObject.values) { // console.log('update size') createSizes(locationIt, newTheme.size, renderObject.values) } } if (updateState.updateColor) { // console.log('update color') createColors(locationIt, newTheme.color, renderObject.values) } updateValues(renderObject.values, newProps) updateRenderableState(renderObject.state, newProps) } currentProps = newProps currentTheme = newTheme currentStructureGroup = newStructureGroup if (newGeometry) geometry = newGeometry } function _createGeometry(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values

, geometry?: G) { return includesUnitKind(props.unitKinds, unit) ? createGeometry(ctx, unit, structure, theme, props, geometry) : createEmptyGeometry(geometry) } return { get groupCount() { return locationIt ? locationIt.count : 0 }, get renderObject () { return locationIt && locationIt.count ? renderObject : undefined }, createOrUpdate(ctx: VisualContext, theme: Theme, props: Partial> = {}, structureGroup?: StructureGroup) { prepareUpdate(theme, props, structureGroup || currentStructureGroup) if (updateState.createGeometry) { const newGeometry = _createGeometry(ctx, newStructureGroup.group.units[0], newStructureGroup.structure, newTheme, newProps, geometry) return newGeometry instanceof Promise ? newGeometry.then(update) : update(newGeometry as G) } else { update() } }, getLoci(pickingId: PickingId) { return renderObject ? getLoci(pickingId, currentStructureGroup, 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) || (Structure.isLoci(loci) && Structure.areEquivalent(loci.structure, currentStructureGroup.structure))) { changed = apply(Interval.ofBounds(0, groupCount * instanceCount)) } else { changed = eachLocation(loci, currentStructureGroup, apply) } if (changed) { ValueCell.update(tMarker, tMarker.ref.value) } return changed }, setVisibility(visible: boolean) { Visual.setVisibility(renderObject, visible) }, setPickable(pickable: boolean) { Visual.setPickable(renderObject, pickable) }, setTransform(matrix?: Mat4, instanceMatrices?: Float32Array | null) { Visual.setTransform(renderObject, matrix, instanceMatrices) }, setOverpaint(layers: Overpaint.Layers) { if (!renderObject) return false const { tOverpaint } = renderObject.values const { groupCount, instanceCount } = locationIt // ensure texture has right size createOverpaint(layers.length ? groupCount * instanceCount : 0, renderObject.values) for (let i = 0, il = layers.length; i < il; ++i) { const { loci, color, alpha } = layers[i] const apply = (interval: Interval) => { const start = Interval.start(interval) const end = Interval.end(interval) return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, alpha) } if (isEveryLoci(loci) || (Structure.isLoci(loci) && Structure.areEquivalent(loci.structure, currentStructureGroup.structure))) { apply(Interval.ofBounds(0, groupCount * instanceCount)) } else { eachLocation(loci, currentStructureGroup, apply) } } ValueCell.update(tOverpaint, tOverpaint.ref.value) }, destroy() { // TODO renderObject = undefined } } } // mesh export const UnitsMeshParams = { ...StructureMeshParams, ...UnitsParams } export type UnitsMeshParams = typeof UnitsMeshParams export interface UnitsMeshVisualBuilder

extends UnitsVisualBuilder { } export function UnitsMeshVisual

(builder: UnitsMeshVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, setUpdateState: (state: VisualUpdateState, newProps: PD.Values

, currentProps: PD.Values

, newTheme: Theme, currentTheme: Theme) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme) if (!SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.createGeometry = true }, geometryUtils: Mesh.Utils }) } // spheres export const UnitsSpheresParams = { ...StructureSpheresParams, ...UnitsParams } export type UnitsSpheresParams = typeof UnitsSpheresParams export interface UnitsSpheresVisualBuilder

extends UnitsVisualBuilder { } export function UnitsSpheresVisual

(builder: UnitsSpheresVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, setUpdateState: (state: VisualUpdateState, newProps: PD.Values

, currentProps: PD.Values

, newTheme: Theme, currentTheme: Theme) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme) if (!SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true }, geometryUtils: Spheres.Utils }) } // points export const UnitsPointsParams = { ...StructurePointsParams, ...UnitsParams } export type UnitsPointsParams = typeof UnitsPointsParams export interface UnitsPointVisualBuilder

extends UnitsVisualBuilder { } export function UnitsPointsVisual

(builder: UnitsPointVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, setUpdateState: (state: VisualUpdateState, newProps: PD.Values

, currentProps: PD.Values

, newTheme: Theme, currentTheme: Theme) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme) if (!SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true }, geometryUtils: Points.Utils }) } // lines export const UnitsLinesParams = { ...StructureLinesParams, ...UnitsParams } export type UnitsLinesParams = typeof UnitsLinesParams export interface UnitsLinesVisualBuilder

extends UnitsVisualBuilder { } export function UnitsLinesVisual

(builder: UnitsLinesVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, setUpdateState: (state: VisualUpdateState, newProps: PD.Values

, currentProps: PD.Values

, newTheme: Theme, currentTheme: Theme) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme) if (!SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.updateSize = true }, geometryUtils: Lines.Utils }) } // direct-volume export const UnitsDirectVolumeParams = { ...StructureDirectVolumeParams, ...UnitsParams } export type UnitsDirectVolumeParams = typeof UnitsDirectVolumeParams export interface UnitsDirectVolumeVisualBuilder

extends UnitsVisualGeometryBuilder { } export function UnitsDirectVolumeVisual

(builder: UnitsDirectVolumeVisualBuilder

): UnitsVisual

{ return UnitsVisual({ ...builder, setUpdateState: (state: VisualUpdateState, newProps: PD.Values

, currentProps: PD.Values

, newTheme: Theme, currentTheme: Theme) => { builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme) if (!SizeTheme.areEqual(newTheme.size, currentTheme.size)) state.createGeometry = true }, geometryUtils: DirectVolume.Utils }) }