diff --git a/src/mol-app/ui/transform/file-loader.tsx b/src/mol-app/ui/transform/file-loader.tsx
index c486e4a12de88d56191c7a21a8089a993f559d2c..02f76c55c4db309e79f59d9b083f0ed6b013283e 100644
--- a/src/mol-app/ui/transform/file-loader.tsx
+++ b/src/mol-app/ui/transform/file-loader.tsx
@@ -11,10 +11,10 @@ import { TransformListController } from '../../controller/transform/list';
import { FileEntity } from 'mol-view/state/entity';
import { MmcifFileToModel, ModelToStructure, StructureToBallAndStick, StructureToSpacefill, StructureToDistanceRestraint, StructureToBackbone } from 'mol-view/state/transform';
import { StateContext } from 'mol-view/state/context';
-import { SpacefillProps } from 'mol-geo/representation/structure/spacefill';
-import { BallAndStickProps } from 'mol-geo/representation/structure/ball-and-stick';
-import { DistanceRestraintProps } from 'mol-geo/representation/structure/distance-restraint';
-import { BackboneProps } from 'mol-geo/representation/structure/backbone';
+import { SpacefillProps } from 'mol-geo/representation/structure/representation/spacefill';
+import { BallAndStickProps } from 'mol-geo/representation/structure/representation/ball-and-stick';
+import { DistanceRestraintProps } from 'mol-geo/representation/structure/representation/distance-restraint';
+import { BackboneProps } from 'mol-geo/representation/structure/representation/backbone';
const spacefillProps: SpacefillProps = {
doubleSided: true,
diff --git a/src/mol-app/ui/transform/url-loader.tsx b/src/mol-app/ui/transform/url-loader.tsx
index e97eff11f34c68579202f962cca790180349502f..ed0b8ef8b2f5904d82f86ac65a473132436fa06b 100644
--- a/src/mol-app/ui/transform/url-loader.tsx
+++ b/src/mol-app/ui/transform/url-loader.tsx
@@ -10,11 +10,11 @@ import { TransformListController } from '../../controller/transform/list';
import { UrlEntity } from 'mol-view/state/entity';
import { ModelToStructure, StructureToBallAndStick, StructureToSpacefill, StructureToDistanceRestraint, StructureToBackbone, MmcifUrlToModel, StructureToCartoon } from 'mol-view/state/transform';
import { StateContext } from 'mol-view/state/context';
-import { SpacefillProps } from 'mol-geo/representation/structure/spacefill';
-import { BallAndStickProps } from 'mol-geo/representation/structure/ball-and-stick';
-import { DistanceRestraintProps } from 'mol-geo/representation/structure/distance-restraint';
-import { BackboneProps } from 'mol-geo/representation/structure/backbone';
-import { CartoonProps } from 'mol-geo/representation/structure/cartoon';
+import { SpacefillProps } from 'mol-geo/representation/structure/representation/spacefill';
+import { BallAndStickProps } from 'mol-geo/representation/structure/representation/ball-and-stick';
+import { DistanceRestraintProps } from 'mol-geo/representation/structure/representation/distance-restraint';
+import { BackboneProps } from 'mol-geo/representation/structure/representation/backbone';
+import { CartoonProps } from 'mol-geo/representation/structure/representation/cartoon';
const spacefillProps: SpacefillProps = {
doubleSided: true,
diff --git a/src/mol-geo/representation/structure/complex-representation.ts b/src/mol-geo/representation/structure/complex-representation.ts
new file mode 100644
index 0000000000000000000000000000000000000000..2ddb9d8cb336f5fd3193547452185127fbe37943
--- /dev/null
+++ b/src/mol-geo/representation/structure/complex-representation.ts
@@ -0,0 +1,79 @@
+/**
+ * Copyright (c) 2018 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 { Structure } from 'mol-model/structure';
+import { Task } from 'mol-task'
+import { PickingId } from '../../util/picking';
+import { Loci, EmptyLoci, isEmptyLoci } from 'mol-model/loci';
+import { MarkerAction } from '../../util/marker-data';
+import { getQualityProps } from '../util';
+import { StructureProps, DefaultStructureProps, StructureRepresentation } from '.';
+import { ComplexVisual } from './complex-visual';
+
+export function ComplexRepresentation<P extends StructureProps>(visualCtor: () => ComplexVisual<P>): StructureRepresentation<P> {
+ let visual: ComplexVisual<P>
+
+ let _props: Required<P>
+ let _structure: Structure
+
+ function create(structure: Structure, props: P = {} as P) {
+ _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, structure))
+ _props.colorTheme!.structure = structure
+
+ return Task.create('Creating StructureRepresentation', async ctx => {
+ if (!_structure) {
+ visual = visualCtor()
+ await visual.create(ctx, structure, _props)
+ } else {
+ if (_structure.hashCode === structure.hashCode) {
+ await update(_props)
+ } else {
+ if (!await visual.update(ctx, _props)) {
+ await visual.create(ctx, _structure, _props)
+ }
+ }
+ }
+ _structure = structure
+ });
+ }
+
+ function update(props: P) {
+ return Task.create('Updating StructureRepresentation', async ctx => {
+ _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, _structure))
+ _props.colorTheme!.structure = _structure
+
+ if (!await visual.update(ctx, _props)) {
+ await visual.create(ctx, _structure, _props)
+ }
+ })
+ }
+
+ function getLoci(pickingId: PickingId) {
+ let loci: Loci = EmptyLoci
+ const _loci = visual.getLoci(pickingId)
+ if (!isEmptyLoci(_loci)) loci = _loci
+ return loci
+ }
+
+ function mark(loci: Loci, action: MarkerAction) {
+ visual.mark(loci, action)
+ }
+
+ function destroy() {
+ visual.destroy()
+ }
+
+ return {
+ get renderObjects() { return [ visual.renderObject ] },
+ get props() { return _props },
+ create,
+ update,
+ getLoci,
+ mark,
+ destroy
+ }
+}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/complex-visual.ts b/src/mol-geo/representation/structure/complex-visual.ts
new file mode 100644
index 0000000000000000000000000000000000000000..8c193d515d9bcceb17642d0ae5939c58183d407f
--- /dev/null
+++ b/src/mol-geo/representation/structure/complex-visual.ts
@@ -0,0 +1,11 @@
+/**
+ * Copyright (c) 2018 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 { Structure } from 'mol-model/structure';
+import { RepresentationProps, Visual } from '..';
+
+export interface ComplexVisual<P extends RepresentationProps = {}> extends Visual<Structure, P> { }
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/index.ts b/src/mol-geo/representation/structure/index.ts
index 7b95c2c54e9f71eb35e7fc66fe9d3a6868c9cce0..2b0b0da9cb03674cc8b3262793970a4e72a98bb6 100644
--- a/src/mol-geo/representation/structure/index.ts
+++ b/src/mol-geo/representation/structure/index.ts
@@ -5,18 +5,10 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
-import { Structure, Unit } from 'mol-model/structure';
-import { Task } from 'mol-task'
-import { RenderObject } from 'mol-gl/render-object';
-import { Representation, RepresentationProps, Visual } from '..';
+import { Structure } from 'mol-model/structure';
+import { Representation, RepresentationProps } from '..';
import { ColorTheme, SizeTheme } from '../../theme';
-import { PickingId } from '../../util/picking';
-import { Loci, EmptyLoci, isEmptyLoci } from 'mol-model/loci';
-import { MarkerAction } from '../../util/marker-data';
-import { getQualityProps, DefaultBaseProps } from '../util';
-
-export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<Unit.SymmetryGroup, P> { }
-export interface StructureVisual<P extends RepresentationProps = {}> extends Visual<Structure, P> { }
+import { DefaultBaseProps } from '../util';
export interface StructureRepresentation<P extends RepresentationProps = {}> extends Representation<Structure, P> { }
@@ -27,174 +19,7 @@ export const DefaultStructureProps = {
}
export type StructureProps = Partial<typeof DefaultStructureProps>
-export function StructureRepresentation<P extends StructureProps>(visualCtor: () => StructureVisual<P>): StructureRepresentation<P> {
- let visual: StructureVisual<P>
-
- let _props: Required<P>
- let _structure: Structure
-
- function create(structure: Structure, props: P = {} as P) {
- _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, structure))
- _props.colorTheme!.structure = structure
-
- return Task.create('Creating StructureRepresentation', async ctx => {
- if (!_structure) {
- visual = visualCtor()
- await visual.create(ctx, structure, _props)
- } else {
- if (_structure.hashCode === structure.hashCode) {
- await update(_props)
- } else {
- if (!await visual.update(ctx, _props)) {
- await visual.create(ctx, _structure, _props)
- }
- }
- }
- _structure = structure
- });
- }
-
- function update(props: P) {
- return Task.create('Updating StructureRepresentation', async ctx => {
- _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, _structure))
- _props.colorTheme!.structure = _structure
-
- if (!await visual.update(ctx, _props)) {
- await visual.create(ctx, _structure, _props)
- }
- })
- }
-
- function getLoci(pickingId: PickingId) {
- let loci: Loci = EmptyLoci
- const _loci = visual.getLoci(pickingId)
- if (!isEmptyLoci(_loci)) loci = _loci
- return loci
- }
-
- function mark(loci: Loci, action: MarkerAction) {
- visual.mark(loci, action)
- }
-
- function destroy() {
- visual.destroy()
- }
-
- return {
- get renderObjects() { return [ visual.renderObject ] },
- get props() { return _props },
- create,
- update,
- getLoci,
- mark,
- destroy
- }
-}
-
-export function StructureUnitsRepresentation<P extends StructureProps>(visualCtor: () => UnitsVisual<P>): StructureRepresentation<P> {
- let visuals = new Map<number, { group: Unit.SymmetryGroup, visual: UnitsVisual<P> }>()
-
- let _props: Required<P>
- let _structure: Structure
- let _groups: ReadonlyArray<Unit.SymmetryGroup>
-
- function create(structure: Structure, props: P = {} as P) {
- _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, structure))
- _props.colorTheme!.structure = structure
-
- return Task.create('Creating StructureRepresentation', async ctx => {
- if (!_structure) {
- _groups = structure.unitSymmetryGroups;
- for (let i = 0; i < _groups.length; i++) {
- const group = _groups[i];
- const visual = visualCtor()
- await visual.create(ctx, group, _props)
- visuals.set(group.hashCode, { visual, group })
- }
- } else {
- if (_structure.hashCode === structure.hashCode) {
- await update(_props)
- } else {
- _groups = structure.unitSymmetryGroups;
- const newGroups: Unit.SymmetryGroup[] = []
- const oldUnitsVisuals = visuals
- visuals = new Map()
- for (let i = 0; i < _groups.length; i++) {
- const group = _groups[i];
- const visualGroup = oldUnitsVisuals.get(group.hashCode)
- if (visualGroup) {
- const { visual, group } = visualGroup
- if (!await visual.update(ctx, _props)) {
- await visual.create(ctx, group, _props)
- }
- oldUnitsVisuals.delete(group.hashCode)
- } else {
- newGroups.push(group)
- const visual = visualCtor()
- await visual.create(ctx, group, _props)
- visuals.set(group.hashCode, { visual, group })
- }
- }
-
- // for new groups, reuse leftover visuals
- const unusedVisuals: UnitsVisual<P>[] = []
- oldUnitsVisuals.forEach(({ visual }) => unusedVisuals.push(visual))
- newGroups.forEach(async group => {
- const visual = unusedVisuals.pop() || visualCtor()
- await visual.create(ctx, group, _props)
- visuals.set(group.hashCode, { visual, group })
- })
- unusedVisuals.forEach(visual => visual.destroy())
- }
- }
- _structure = structure
- });
- }
-
- function update(props: P) {
- return Task.create('Updating StructureRepresentation', async ctx => {
- _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, _structure))
- _props.colorTheme!.structure = _structure
-
- visuals.forEach(async ({ visual, group }) => {
- if (!await visual.update(ctx, _props)) {
- await visual.create(ctx, group, _props)
- }
- })
- })
- }
-
- 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) {
- visuals.forEach(({ visual }) => visual.mark(loci, action))
- }
-
- function destroy() {
- visuals.forEach(({ visual }) => visual.destroy())
- visuals.clear()
- }
-
- return {
- get renderObjects() {
- const renderObjects: RenderObject[] = []
- visuals.forEach(({ visual }) => renderObjects.push(visual.renderObject))
- return renderObjects
- },
- get props() {
- return _props
- },
- create,
- update,
- getLoci,
- mark,
- destroy
- }
-}
\ No newline at end of file
+export { ComplexRepresentation } from './complex-representation'
+export { UnitsRepresentation } from './units-representation'
+export { ComplexVisual } from './complex-visual'
+export { UnitsVisual } from './units-visual'
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/backbone.ts b/src/mol-geo/representation/structure/representation/backbone.ts
similarity index 84%
rename from src/mol-geo/representation/structure/backbone.ts
rename to src/mol-geo/representation/structure/representation/backbone.ts
index 9fec379019ec0b853306079119f5d1a32c4bd96b..4930d97755a48854a96af2078d9e5c6d8f58e690 100644
--- a/src/mol-geo/representation/structure/backbone.ts
+++ b/src/mol-geo/representation/structure/representation/backbone.ts
@@ -4,13 +4,13 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation, StructureUnitsRepresentation } from '.';
-import { PickingId } from '../../util/picking';
+import { StructureRepresentation, UnitsRepresentation } from '..';
+import { PickingId } from '../../../util/picking';
import { Structure } from 'mol-model/structure';
import { Task } from 'mol-task';
import { Loci } from 'mol-model/loci';
-import { MarkerAction } from '../../util/marker-data';
-import { PolymerBackboneVisual, DefaultPolymerBackboneProps } from './visual/polymer-backbone-cylinder';
+import { MarkerAction } from '../../../util/marker-data';
+import { PolymerBackboneVisual, DefaultPolymerBackboneProps } from '../visual/polymer-backbone-cylinder';
export const DefaultBackboneProps = {
...DefaultPolymerBackboneProps
@@ -18,7 +18,7 @@ export const DefaultBackboneProps = {
export type BackboneProps = Partial<typeof DefaultBackboneProps>
export function BackboneRepresentation(): StructureRepresentation<BackboneProps> {
- const traceRepr = StructureUnitsRepresentation(PolymerBackboneVisual)
+ const traceRepr = UnitsRepresentation(PolymerBackboneVisual)
return {
get renderObjects() {
diff --git a/src/mol-geo/representation/structure/ball-and-stick.ts b/src/mol-geo/representation/structure/representation/ball-and-stick.ts
similarity index 83%
rename from src/mol-geo/representation/structure/ball-and-stick.ts
rename to src/mol-geo/representation/structure/representation/ball-and-stick.ts
index 2883582a5081172bcde9672c71a6c111af4eb1ec..094eb1fcbffea4e0351ddc26dfd30fa3bbb3c1d7 100644
--- a/src/mol-geo/representation/structure/ball-and-stick.ts
+++ b/src/mol-geo/representation/structure/representation/ball-and-stick.ts
@@ -4,16 +4,16 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation, StructureUnitsRepresentation } from '.';
-import { ElementSphereVisual, DefaultElementSphereProps } from './visual/element-sphere';
-import { IntraUnitLinkVisual, DefaultIntraUnitLinkProps } from './visual/intra-unit-link-cylinder';
-import { PickingId } from '../../util/picking';
+import { ComplexRepresentation, StructureRepresentation, UnitsRepresentation } from '..';
+import { ElementSphereVisual, DefaultElementSphereProps } from '../visual/element-sphere';
+import { IntraUnitLinkVisual, DefaultIntraUnitLinkProps } from '../visual/intra-unit-link-cylinder';
+import { PickingId } from '../../../util/picking';
import { Structure, Unit } from 'mol-model/structure';
import { Task } from 'mol-task';
import { Loci, isEmptyLoci } from 'mol-model/loci';
-import { MarkerAction } from '../../util/marker-data';
-import { SizeTheme } from '../../theme';
-import { InterUnitLinkVisual } from './visual/inter-unit-link-cylinder';
+import { MarkerAction } from '../../../util/marker-data';
+import { SizeTheme } from '../../../theme';
+import { InterUnitLinkVisual } from '../visual/inter-unit-link-cylinder';
export const DefaultBallAndStickProps = {
...DefaultElementSphereProps,
@@ -25,9 +25,9 @@ export const DefaultBallAndStickProps = {
export type BallAndStickProps = Partial<typeof DefaultBallAndStickProps>
export function BallAndStickRepresentation(): StructureRepresentation<BallAndStickProps> {
- const elmementRepr = StructureUnitsRepresentation(ElementSphereVisual)
- const intraLinkRepr = StructureUnitsRepresentation(IntraUnitLinkVisual)
- const interLinkRepr = StructureRepresentation(InterUnitLinkVisual)
+ const elmementRepr = UnitsRepresentation(ElementSphereVisual)
+ const intraLinkRepr = UnitsRepresentation(IntraUnitLinkVisual)
+ const interLinkRepr = ComplexRepresentation(InterUnitLinkVisual)
return {
get renderObjects() {
diff --git a/src/mol-geo/representation/structure/carbohydrate.ts b/src/mol-geo/representation/structure/representation/carbohydrate.ts
similarity index 84%
rename from src/mol-geo/representation/structure/carbohydrate.ts
rename to src/mol-geo/representation/structure/representation/carbohydrate.ts
index a78c780b35efd802e8cc4911f0937ed1df134f87..75e63d9300e5c74323db481064f3387c277ec38b 100644
--- a/src/mol-geo/representation/structure/carbohydrate.ts
+++ b/src/mol-geo/representation/structure/representation/carbohydrate.ts
@@ -4,14 +4,14 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation } from '.';
-import { PickingId } from '../../util/picking';
+import { ComplexRepresentation, StructureRepresentation } from '..';
+import { PickingId } from '../../../util/picking';
import { Structure } from 'mol-model/structure';
import { Task } from 'mol-task';
import { Loci, isEmptyLoci } from 'mol-model/loci';
-import { MarkerAction } from '../../util/marker-data';
-import { CarbohydrateSymbolVisual, DefaultCarbohydrateSymbolProps } from './visual/carbohydrate-symbol-mesh';
-import { CarbohydrateLinkVisual, DefaultCarbohydrateLinkProps } from './visual/carbohydrate-link-cylinder';
+import { MarkerAction } from '../../../util/marker-data';
+import { CarbohydrateSymbolVisual, DefaultCarbohydrateSymbolProps } from '../visual/carbohydrate-symbol-mesh';
+import { CarbohydrateLinkVisual, DefaultCarbohydrateLinkProps } from '../visual/carbohydrate-link-cylinder';
export const DefaultCartoonProps = {
...DefaultCarbohydrateSymbolProps,
@@ -20,8 +20,8 @@ export const DefaultCartoonProps = {
export type CarbohydrateProps = Partial<typeof DefaultCartoonProps>
export function CarbohydrateRepresentation(): StructureRepresentation<CarbohydrateProps> {
- const carbohydrateSymbolRepr = StructureRepresentation(CarbohydrateSymbolVisual)
- const carbohydrateLinkRepr = StructureRepresentation(CarbohydrateLinkVisual)
+ const carbohydrateSymbolRepr = ComplexRepresentation(CarbohydrateSymbolVisual)
+ const carbohydrateLinkRepr = ComplexRepresentation(CarbohydrateLinkVisual)
return {
get renderObjects() {
diff --git a/src/mol-geo/representation/structure/cartoon.ts b/src/mol-geo/representation/structure/representation/cartoon.ts
similarity index 57%
rename from src/mol-geo/representation/structure/cartoon.ts
rename to src/mol-geo/representation/structure/representation/cartoon.ts
index c374e27a885843fd44e060f917ca53631a09e13c..498c0f30b0a7a7cb7b7af5294b382354243f5629 100644
--- a/src/mol-geo/representation/structure/cartoon.ts
+++ b/src/mol-geo/representation/structure/representation/cartoon.ts
@@ -4,18 +4,16 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation, StructureUnitsRepresentation } from '.';
-import { PickingId } from '../../util/picking';
+import { StructureRepresentation, UnitsRepresentation } from '..';
+import { PickingId } from '../../../util/picking';
import { Structure } from 'mol-model/structure';
import { Task } from 'mol-task';
import { Loci, isEmptyLoci } from 'mol-model/loci';
-import { MarkerAction } from '../../util/marker-data';
-import { PolymerTraceVisual, DefaultPolymerTraceProps } from './visual/polymer-trace-mesh';
-import { PolymerGapVisual, DefaultPolymerGapProps } from './visual/polymer-gap-cylinder';
-import { NucleotideBlockVisual, DefaultNucleotideBlockProps } from './visual/nucleotide-block-mesh';
-import { PolymerDirectionVisual, DefaultPolymerDirectionProps } from './visual/polymer-direction-wedge';
-import { CarbohydrateSymbolVisual } from './visual/carbohydrate-symbol-mesh';
-import { CarbohydrateLinkVisual } from './visual/carbohydrate-link-cylinder';
+import { MarkerAction } from '../../../util/marker-data';
+import { PolymerTraceVisual, DefaultPolymerTraceProps } from '../visual/polymer-trace-mesh';
+import { PolymerGapVisual, DefaultPolymerGapProps } from '../visual/polymer-gap-cylinder';
+import { NucleotideBlockVisual, DefaultNucleotideBlockProps } from '../visual/nucleotide-block-mesh';
+import { PolymerDirectionVisual, DefaultPolymerDirectionProps } from '../visual/polymer-direction-wedge';
export const DefaultCartoonProps = {
...DefaultPolymerTraceProps,
@@ -26,24 +24,18 @@ export const DefaultCartoonProps = {
export type CartoonProps = Partial<typeof DefaultCartoonProps>
export function CartoonRepresentation(): StructureRepresentation<CartoonProps> {
- const traceRepr = StructureUnitsRepresentation(PolymerTraceVisual)
- const gapRepr = StructureUnitsRepresentation(PolymerGapVisual)
- const blockRepr = StructureUnitsRepresentation(NucleotideBlockVisual)
- const directionRepr = StructureUnitsRepresentation(PolymerDirectionVisual)
-
- // TODO move to own repr
- const carbohydrateSymbolRepr = StructureRepresentation(CarbohydrateSymbolVisual)
- const carbohydrateLinkRepr = StructureRepresentation(CarbohydrateLinkVisual)
+ const traceRepr = UnitsRepresentation(PolymerTraceVisual)
+ const gapRepr = UnitsRepresentation(PolymerGapVisual)
+ const blockRepr = UnitsRepresentation(NucleotideBlockVisual)
+ const directionRepr = UnitsRepresentation(PolymerDirectionVisual)
return {
get renderObjects() {
return [ ...traceRepr.renderObjects, ...gapRepr.renderObjects,
- ...blockRepr.renderObjects, ...directionRepr.renderObjects,
- ...carbohydrateSymbolRepr.renderObjects, ...carbohydrateLinkRepr.renderObjects ]
+ ...blockRepr.renderObjects, ...directionRepr.renderObjects ]
},
get props() {
- return { ...traceRepr.props, ...gapRepr.props, ...blockRepr.props,
- ...carbohydrateSymbolRepr.props, ...carbohydrateLinkRepr.props }
+ return { ...traceRepr.props, ...gapRepr.props, ...blockRepr.props }
},
create: (structure: Structure, props: CartoonProps = {} as CartoonProps) => {
const p = Object.assign({}, DefaultCartoonProps, props)
@@ -52,8 +44,6 @@ export function CartoonRepresentation(): StructureRepresentation<CartoonProps> {
await gapRepr.create(structure, p).runInContext(ctx)
await blockRepr.create(structure, p).runInContext(ctx)
await directionRepr.create(structure, p).runInContext(ctx)
- await carbohydrateSymbolRepr.create(structure, p).runInContext(ctx)
- await carbohydrateLinkRepr.create(structure, p).runInContext(ctx)
})
},
update: (props: CartoonProps) => {
@@ -63,8 +53,6 @@ export function CartoonRepresentation(): StructureRepresentation<CartoonProps> {
await gapRepr.update(p).runInContext(ctx)
await blockRepr.update(p).runInContext(ctx)
await directionRepr.update(p).runInContext(ctx)
- await carbohydrateSymbolRepr.update(p).runInContext(ctx)
- await carbohydrateLinkRepr.update(p).runInContext(ctx)
})
},
getLoci: (pickingId: PickingId) => {
@@ -72,30 +60,22 @@ export function CartoonRepresentation(): StructureRepresentation<CartoonProps> {
const gapLoci = gapRepr.getLoci(pickingId)
const blockLoci = blockRepr.getLoci(pickingId)
const directionLoci = directionRepr.getLoci(pickingId)
- const carbohydrateSymbolLoci = carbohydrateSymbolRepr.getLoci(pickingId)
- const carbohydrateLinkLoci = carbohydrateLinkRepr.getLoci(pickingId)
return !isEmptyLoci(traceLoci) ? traceLoci
: !isEmptyLoci(gapLoci) ? gapLoci
: !isEmptyLoci(blockLoci) ? blockLoci
- : !isEmptyLoci(directionLoci) ? directionLoci
- : !isEmptyLoci(carbohydrateSymbolLoci) ? carbohydrateSymbolLoci
- : carbohydrateLinkLoci
+ : directionLoci
},
mark: (loci: Loci, action: MarkerAction) => {
traceRepr.mark(loci, action)
gapRepr.mark(loci, action)
blockRepr.mark(loci, action)
directionRepr.mark(loci, action)
- carbohydrateSymbolRepr.mark(loci, action)
- carbohydrateLinkRepr.mark(loci, action)
},
destroy() {
traceRepr.destroy()
gapRepr.destroy()
blockRepr.destroy()
directionRepr.destroy()
- carbohydrateSymbolRepr.destroy()
- carbohydrateLinkRepr.destroy()
}
}
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/distance-restraint.ts b/src/mol-geo/representation/structure/representation/distance-restraint.ts
similarity index 83%
rename from src/mol-geo/representation/structure/distance-restraint.ts
rename to src/mol-geo/representation/structure/representation/distance-restraint.ts
index 9cb1dd01c6c17bfed21429df49e0c74f4cf70f87..68d2d994c35413abc78987c9ef759005f4a6ebe0 100644
--- a/src/mol-geo/representation/structure/distance-restraint.ts
+++ b/src/mol-geo/representation/structure/representation/distance-restraint.ts
@@ -4,14 +4,14 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation } from '.';
-import { PickingId } from '../../util/picking';
+import { ComplexRepresentation, StructureRepresentation } from '..';
+import { PickingId } from '../../../util/picking';
import { Structure } from 'mol-model/structure';
import { Task } from 'mol-task';
import { Loci } from 'mol-model/loci';
-import { MarkerAction } from '../../util/marker-data';
-import { SizeTheme } from '../../theme';
-import { CrossLinkRestraintVisual, DefaultCrossLinkRestraintProps } from './visual/cross-link-restraint-cylinder';
+import { MarkerAction } from '../../../util/marker-data';
+import { SizeTheme } from '../../../theme';
+import { CrossLinkRestraintVisual, DefaultCrossLinkRestraintProps } from '../visual/cross-link-restraint-cylinder';
export const DefaultDistanceRestraintProps = {
...DefaultCrossLinkRestraintProps,
@@ -21,7 +21,7 @@ export const DefaultDistanceRestraintProps = {
export type DistanceRestraintProps = Partial<typeof DefaultDistanceRestraintProps>
export function DistanceRestraintRepresentation(): StructureRepresentation<DistanceRestraintProps> {
- const crossLinkRepr = StructureRepresentation(CrossLinkRestraintVisual)
+ const crossLinkRepr = ComplexRepresentation(CrossLinkRestraintVisual)
return {
get renderObjects() {
diff --git a/src/mol-geo/representation/structure/spacefill.ts b/src/mol-geo/representation/structure/representation/spacefill.ts
similarity index 75%
rename from src/mol-geo/representation/structure/spacefill.ts
rename to src/mol-geo/representation/structure/representation/spacefill.ts
index 37ab7eba9d60c3d8167f714487c3bca3d2c72c7a..0fab7f5a9446015f6b1e00c17fd6a3e15b62536f 100644
--- a/src/mol-geo/representation/structure/spacefill.ts
+++ b/src/mol-geo/representation/structure/representation/spacefill.ts
@@ -4,8 +4,8 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureUnitsRepresentation } from '.';
-import { ElementSphereVisual, DefaultElementSphereProps } from './visual/element-sphere';
+import { UnitsRepresentation } from '..';
+import { ElementSphereVisual, DefaultElementSphereProps } from '../visual/element-sphere';
export const DefaultSpacefillProps = {
...DefaultElementSphereProps,
@@ -13,5 +13,5 @@ export const DefaultSpacefillProps = {
export type SpacefillProps = Partial<typeof DefaultSpacefillProps>
export function SpacefillRepresentation() {
- return StructureUnitsRepresentation(ElementSphereVisual)
+ return UnitsRepresentation(ElementSphereVisual)
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/units-representation.ts b/src/mol-geo/representation/structure/units-representation.ts
new file mode 100644
index 0000000000000000000000000000000000000000..eb9a9efdb7bda4db8336b079887f29daab006918
--- /dev/null
+++ b/src/mol-geo/representation/structure/units-representation.ts
@@ -0,0 +1,129 @@
+/**
+ * Copyright (c) 2018 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 { Structure, Unit } from 'mol-model/structure';
+import { Task } from 'mol-task'
+import { RenderObject } from 'mol-gl/render-object';
+import { Representation, RepresentationProps, Visual } from '..';
+import { PickingId } from '../../util/picking';
+import { Loci, EmptyLoci, isEmptyLoci } from 'mol-model/loci';
+import { MarkerAction } from '../../util/marker-data';
+import { getQualityProps } from '../util';
+import { DefaultStructureProps, StructureProps } from '.';
+
+export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<Unit.SymmetryGroup, P> { }
+export interface StructureVisual<P extends RepresentationProps = {}> extends Visual<Structure, P> { }
+
+export interface StructureRepresentation<P extends RepresentationProps = {}> extends Representation<Structure, P> { }
+
+export function UnitsRepresentation<P extends StructureProps>(visualCtor: () => UnitsVisual<P>): StructureRepresentation<P> {
+ let visuals = new Map<number, { group: Unit.SymmetryGroup, visual: UnitsVisual<P> }>()
+
+ let _props: Required<P>
+ let _structure: Structure
+ let _groups: ReadonlyArray<Unit.SymmetryGroup>
+
+ function create(structure: Structure, props: P = {} as P) {
+ _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, structure))
+ _props.colorTheme!.structure = structure
+
+ return Task.create('Creating StructureRepresentation', async ctx => {
+ if (!_structure) {
+ _groups = structure.unitSymmetryGroups;
+ for (let i = 0; i < _groups.length; i++) {
+ const group = _groups[i];
+ const visual = visualCtor()
+ await visual.create(ctx, group, _props)
+ visuals.set(group.hashCode, { visual, group })
+ }
+ } else {
+ if (_structure.hashCode === structure.hashCode) {
+ await update(_props)
+ } else {
+ _groups = structure.unitSymmetryGroups;
+ const newGroups: Unit.SymmetryGroup[] = []
+ const oldUnitsVisuals = visuals
+ visuals = new Map()
+ for (let i = 0; i < _groups.length; i++) {
+ const group = _groups[i];
+ const visualGroup = oldUnitsVisuals.get(group.hashCode)
+ if (visualGroup) {
+ const { visual, group } = visualGroup
+ if (!await visual.update(ctx, _props)) {
+ await visual.create(ctx, group, _props)
+ }
+ oldUnitsVisuals.delete(group.hashCode)
+ } else {
+ newGroups.push(group)
+ const visual = visualCtor()
+ await visual.create(ctx, group, _props)
+ visuals.set(group.hashCode, { visual, group })
+ }
+ }
+
+ // for new groups, reuse leftover visuals
+ const unusedVisuals: UnitsVisual<P>[] = []
+ oldUnitsVisuals.forEach(({ visual }) => unusedVisuals.push(visual))
+ newGroups.forEach(async group => {
+ const visual = unusedVisuals.pop() || visualCtor()
+ await visual.create(ctx, group, _props)
+ visuals.set(group.hashCode, { visual, group })
+ })
+ unusedVisuals.forEach(visual => visual.destroy())
+ }
+ }
+ _structure = structure
+ });
+ }
+
+ function update(props: P) {
+ return Task.create('Updating StructureRepresentation', async ctx => {
+ _props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, _structure))
+ _props.colorTheme!.structure = _structure
+
+ visuals.forEach(async ({ visual, group }) => {
+ if (!await visual.update(ctx, _props)) {
+ await visual.create(ctx, group, _props)
+ }
+ })
+ })
+ }
+
+ 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) {
+ visuals.forEach(({ visual }) => visual.mark(loci, action))
+ }
+
+ function destroy() {
+ visuals.forEach(({ visual }) => visual.destroy())
+ visuals.clear()
+ }
+
+ return {
+ get renderObjects() {
+ const renderObjects: RenderObject[] = []
+ visuals.forEach(({ visual }) => renderObjects.push(visual.renderObject))
+ return renderObjects
+ },
+ get props() {
+ return _props
+ },
+ create,
+ update,
+ getLoci,
+ mark,
+ destroy
+ }
+}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/units-visual.ts b/src/mol-geo/representation/structure/units-visual.ts
new file mode 100644
index 0000000000000000000000000000000000000000..540aa7feca4fbc43fb094c86b6fcfbf7011214b9
--- /dev/null
+++ b/src/mol-geo/representation/structure/units-visual.ts
@@ -0,0 +1,11 @@
+/**
+ * Copyright (c) 2018 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 { RepresentationProps, Visual } from '..';
+import { Unit } from 'mol-model/structure';
+
+export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<Unit.SymmetryGroup, P> { }
diff --git a/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts b/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts
index 1d449f218c0271843443e7fa7f005c9e1a798e24..1792cf5865572d1055ad417237912ccfda50026a 100644
--- a/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts
+++ b/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts
@@ -8,7 +8,7 @@ import { ValueCell } from 'mol-util/value-cell'
import { MeshRenderObject } from 'mol-gl/render-object'
import { Unit, Structure, Link, StructureElement } from 'mol-model/structure';
-import { DefaultStructureProps, StructureVisual } from '..';
+import { DefaultStructureProps, ComplexVisual } from '..';
import { RuntimeContext } from 'mol-task'
import { createColors, createStructureMeshRenderObject } from './util/common';
import { Mesh } from '../../../shape/mesh';
@@ -63,7 +63,7 @@ export const DefaultCarbohydrateLinkProps = {
}
export type CarbohydrateLinkProps = Partial<typeof DefaultCarbohydrateLinkProps>
-export function CarbohydrateLinkVisual(): StructureVisual<CarbohydrateLinkProps> {
+export function CarbohydrateLinkVisual(): ComplexVisual<CarbohydrateLinkProps> {
let renderObject: MeshRenderObject
let currentProps: typeof DefaultCarbohydrateLinkProps
let mesh: Mesh
diff --git a/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts b/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts
index 327de3198ad30db947a50228afed17bca7d789e3..f84782fff3841d9360bed94c0d714d96677ce352 100644
--- a/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts
+++ b/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts
@@ -8,7 +8,7 @@ import { ValueCell } from 'mol-util/value-cell'
import { MeshRenderObject } from 'mol-gl/render-object'
import { Unit, Structure, StructureElement } from 'mol-model/structure';
-import { DefaultStructureProps, StructureVisual } from '..';
+import { DefaultStructureProps, ComplexVisual } from '..';
import { RuntimeContext } from 'mol-task'
import { createColors, createStructureMeshRenderObject } from './util/common';
import { Mesh } from '../../../shape/mesh';
@@ -126,7 +126,7 @@ export const DefaultCarbohydrateSymbolProps = {
}
export type CarbohydrateSymbolProps = Partial<typeof DefaultCarbohydrateSymbolProps>
-export function CarbohydrateSymbolVisual(): StructureVisual<CarbohydrateSymbolProps> {
+export function CarbohydrateSymbolVisual(): ComplexVisual<CarbohydrateSymbolProps> {
let renderObject: MeshRenderObject
let currentProps: typeof DefaultCarbohydrateSymbolProps
let mesh: Mesh
diff --git a/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts b/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts
index ea48347d29c81fb83e3d897f7396e9f6e6b120a2..7a2435546a29c2c5b82f9b6fd034152352fc461c 100644
--- a/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts
+++ b/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts
@@ -8,7 +8,7 @@ import { ValueCell } from 'mol-util/value-cell'
import { createMeshRenderObject, MeshRenderObject } from 'mol-gl/render-object'
import { Link, Structure, StructureElement } from 'mol-model/structure';
-import { DefaultStructureProps, StructureVisual } from '..';
+import { DefaultStructureProps, ComplexVisual } from '..';
import { RuntimeContext } from 'mol-task'
import { LinkCylinderProps, DefaultLinkCylinderProps, createLinkCylinderMesh } from './util/link';
import { MeshValues } from 'mol-gl/renderable';
@@ -56,7 +56,7 @@ export const DefaultCrossLinkRestraintProps = {
}
export type CrossLinkRestraintProps = Partial<typeof DefaultCrossLinkRestraintProps>
-export function CrossLinkRestraintVisual(): StructureVisual<CrossLinkRestraintProps> {
+export function CrossLinkRestraintVisual(): ComplexVisual<CrossLinkRestraintProps> {
let renderObject: MeshRenderObject
let currentProps: typeof DefaultCrossLinkRestraintProps
let mesh: Mesh
diff --git a/src/mol-geo/representation/structure/visual/inter-unit-link-cylinder.ts b/src/mol-geo/representation/structure/visual/inter-unit-link-cylinder.ts
index 654e3ab70bd242c92920438f93b0b687303e2220..7587b44fa879680feadc2f6d2663788b244165d7 100644
--- a/src/mol-geo/representation/structure/visual/inter-unit-link-cylinder.ts
+++ b/src/mol-geo/representation/structure/visual/inter-unit-link-cylinder.ts
@@ -8,7 +8,7 @@ import { ValueCell } from 'mol-util/value-cell'
import { MeshRenderObject } from 'mol-gl/render-object'
import { Link, Structure, StructureElement } from 'mol-model/structure';
-import { DefaultStructureProps, StructureVisual } from '..';
+import { DefaultStructureProps, ComplexVisual } from '..';
import { RuntimeContext } from 'mol-task'
import { LinkCylinderProps, DefaultLinkCylinderProps, createLinkCylinderMesh } from './util/link';
import { Mesh } from '../../../shape/mesh';
@@ -51,7 +51,7 @@ export const DefaultInterUnitLinkProps = {
}
export type InterUnitLinkProps = Partial<typeof DefaultInterUnitLinkProps>
-export function InterUnitLinkVisual(): StructureVisual<InterUnitLinkProps> {
+export function InterUnitLinkVisual(): ComplexVisual<InterUnitLinkProps> {
let renderObject: MeshRenderObject
let currentProps: typeof DefaultInterUnitLinkProps
let mesh: Mesh
diff --git a/src/mol-view/stage.ts b/src/mol-view/stage.ts
index 64a897cdae349666d4a2fdc851a282a67336dd6f..06c561e744e8d4b90a5f934559d2fc6ff1ba917a 100644
--- a/src/mol-view/stage.ts
+++ b/src/mol-view/stage.ts
@@ -9,12 +9,12 @@ import { StateContext } from './state/context';
import { Progress } from 'mol-task';
import { MmcifUrlToModel, ModelToStructure, StructureToSpacefill, StructureToBallAndStick, StructureToDistanceRestraint, StructureToCartoon, StructureToBackbone, StructureCenter, StructureToCarbohydrate } from './state/transform';
import { UrlEntity } from './state/entity';
-import { SpacefillProps } from 'mol-geo/representation/structure/spacefill';
+import { SpacefillProps } from 'mol-geo/representation/structure/representation/spacefill';
import { Context } from 'mol-app/context/context';
-import { BallAndStickProps } from 'mol-geo/representation/structure/ball-and-stick';
-import { CartoonProps } from 'mol-geo/representation/structure/cartoon';
-import { DistanceRestraintProps } from 'mol-geo/representation/structure/distance-restraint';
-import { BackboneProps } from 'mol-geo/representation/structure/backbone';
+import { BallAndStickProps } from 'mol-geo/representation/structure/representation/ball-and-stick';
+import { CartoonProps } from 'mol-geo/representation/structure/representation/cartoon';
+import { DistanceRestraintProps } from 'mol-geo/representation/structure/representation/distance-restraint';
+import { BackboneProps } from 'mol-geo/representation/structure/representation/backbone';
// import { Queries as Q, StructureProperties as SP, Query, Selection } from 'mol-model/structure';
const spacefillProps: SpacefillProps = {
diff --git a/src/mol-view/state/entity.ts b/src/mol-view/state/entity.ts
index 96e96d8ffaab6fb2c74fa7dd28d6944350c85efc..22c94076fdee8baa43786daa94ca8abc65ebe352 100644
--- a/src/mol-view/state/entity.ts
+++ b/src/mol-view/state/entity.ts
@@ -12,12 +12,12 @@ import { CifFile, CifFrame } from 'mol-io/reader/cif';
import { mmCIF_Database } from 'mol-io/reader/cif/schema/mmcif';
import { Model, Structure } from 'mol-model/structure';
import { StructureRepresentation } from 'mol-geo/representation/structure';
-import { SpacefillProps } from 'mol-geo/representation/structure/spacefill';
-import { BallAndStickProps } from 'mol-geo/representation/structure/ball-and-stick';
-import { DistanceRestraintProps } from 'mol-geo/representation/structure/distance-restraint';
-import { CartoonProps } from 'mol-geo/representation/structure/cartoon';
-import { BackboneProps } from 'mol-geo/representation/structure/backbone';
-import { CarbohydrateProps } from 'mol-geo/representation/structure/carbohydrate';
+import { SpacefillProps } from 'mol-geo/representation/structure/representation/spacefill';
+import { BallAndStickProps } from 'mol-geo/representation/structure/representation/ball-and-stick';
+import { DistanceRestraintProps } from 'mol-geo/representation/structure/representation/distance-restraint';
+import { CartoonProps } from 'mol-geo/representation/structure/representation/cartoon';
+import { BackboneProps } from 'mol-geo/representation/structure/representation/backbone';
+import { CarbohydrateProps } from 'mol-geo/representation/structure/representation/carbohydrate';
const getNextId = idFactory(1)
diff --git a/src/mol-view/state/transform.ts b/src/mol-view/state/transform.ts
index 32157001c0cdae42fb709b36d61cdd7fab8a1124..b4381c8b3d471732cda52a6dcafe08e46aa5e13d 100644
--- a/src/mol-view/state/transform.ts
+++ b/src/mol-view/state/transform.ts
@@ -10,12 +10,12 @@ import { Model, Structure, Format } from 'mol-model/structure';
import { StateContext } from './context';
import StructureSymmetry from 'mol-model/structure/structure/symmetry';
-import { SpacefillProps, SpacefillRepresentation } from 'mol-geo/representation/structure/spacefill';
-import { BallAndStickProps, BallAndStickRepresentation } from 'mol-geo/representation/structure/ball-and-stick';
-import { DistanceRestraintRepresentation, DistanceRestraintProps } from 'mol-geo/representation/structure/distance-restraint';
-import { CartoonRepresentation, CartoonProps } from 'mol-geo/representation/structure/cartoon';
-import { BackboneProps, BackboneRepresentation } from 'mol-geo/representation/structure/backbone';
-import { CarbohydrateProps, CarbohydrateRepresentation } from 'mol-geo/representation/structure/carbohydrate';
+import { SpacefillProps, SpacefillRepresentation } from 'mol-geo/representation/structure/representation/spacefill';
+import { BallAndStickProps, BallAndStickRepresentation } from 'mol-geo/representation/structure/representation/ball-and-stick';
+import { DistanceRestraintRepresentation, DistanceRestraintProps } from 'mol-geo/representation/structure/representation/distance-restraint';
+import { CartoonRepresentation, CartoonProps } from 'mol-geo/representation/structure/representation/cartoon';
+import { BackboneProps, BackboneRepresentation } from 'mol-geo/representation/structure/representation/backbone';
+import { CarbohydrateProps, CarbohydrateRepresentation } from 'mol-geo/representation/structure/representation/carbohydrate';
type transformer<I extends AnyEntity, O extends AnyEntity, P extends {}> = (ctx: StateContext, inputEntity: I, props?: P) => Promise<O>