diff --git a/src/mol-geo/representation/structure/ball-and-stick.ts b/src/mol-geo/representation/structure/ball-and-stick.ts
index de1004d9b138192261155c16ef6d5a67a0b2390f..2883582a5081172bcde9672c71a6c111af4eb1ec 100644
--- a/src/mol-geo/representation/structure/ball-and-stick.ts
+++ b/src/mol-geo/representation/structure/ball-and-stick.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation } from '.';
+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';
@@ -25,46 +25,56 @@ export const DefaultBallAndStickProps = {
export type BallAndStickProps = Partial<typeof DefaultBallAndStickProps>
export function BallAndStickRepresentation(): StructureRepresentation<BallAndStickProps> {
- const elmementRepr = StructureRepresentation(ElementSphereVisual)
- const linkRepr = StructureRepresentation(IntraUnitLinkVisual, InterUnitLinkVisual)
+ const elmementRepr = StructureUnitsRepresentation(ElementSphereVisual)
+ const intraLinkRepr = StructureUnitsRepresentation(IntraUnitLinkVisual)
+ const interLinkRepr = StructureRepresentation(InterUnitLinkVisual)
return {
get renderObjects() {
- return [ ...elmementRepr.renderObjects, ...linkRepr.renderObjects ]
+ return [ ...elmementRepr.renderObjects, ...intraLinkRepr.renderObjects, ...interLinkRepr.renderObjects ]
},
get props() {
- return { ...elmementRepr.props, ...linkRepr.props }
+ return { ...elmementRepr.props, ...intraLinkRepr.props, ...interLinkRepr.props }
},
create: (structure: Structure, props: BallAndStickProps = {} as BallAndStickProps) => {
const p = Object.assign({}, DefaultBallAndStickProps, props)
- return Task.create('Creating BallAndStickRepresentation', async ctx => {
+ return Task.create('DistanceRestraintRepresentation', async ctx => {
await elmementRepr.create(structure, p).runInContext(ctx)
- await linkRepr.create(structure, p).runInContext(ctx)
+ await intraLinkRepr.create(structure, p).runInContext(ctx)
+ await interLinkRepr.create(structure, p).runInContext(ctx)
})
},
update: (props: BallAndStickProps) => {
const p = Object.assign({}, props)
return Task.create('Updating BallAndStickRepresentation', async ctx => {
await elmementRepr.update(p).runInContext(ctx)
- await linkRepr.update(p).runInContext(ctx)
+ await intraLinkRepr.update(p).runInContext(ctx)
+ await interLinkRepr.update(p).runInContext(ctx)
})
},
getLoci: (pickingId: PickingId) => {
const sphereLoci = elmementRepr.getLoci(pickingId)
- const intraLinkLoci = linkRepr.getLoci(pickingId)
+ const intraLinkLoci = intraLinkRepr.getLoci(pickingId)
+ const interLinkLoci = interLinkRepr.getLoci(pickingId)
if (isEmptyLoci(sphereLoci)) {
- return intraLinkLoci
+ if (isEmptyLoci(intraLinkLoci)) {
+ return interLinkLoci
+ } else {
+ return intraLinkLoci
+ }
} else {
return sphereLoci
}
},
mark: (loci: Loci, action: MarkerAction) => {
elmementRepr.mark(loci, action)
- linkRepr.mark(loci, action)
+ intraLinkRepr.mark(loci, action)
+ interLinkRepr.mark(loci, action)
},
destroy() {
elmementRepr.destroy()
- linkRepr.destroy()
+ intraLinkRepr.destroy()
+ interLinkRepr.destroy()
}
}
}
\ 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 25d49da0194698dea4ced08ea0a0725ac887a06a..d0bc2eb18a8188c3c9f739580d9e2266a53484a4 100644
--- a/src/mol-geo/representation/structure/index.ts
+++ b/src/mol-geo/representation/structure/index.ts
@@ -27,9 +27,74 @@ export const DefaultStructureProps = {
}
export type StructureProps = Partial<typeof DefaultStructureProps>
-export function StructureRepresentation<P extends StructureProps>(unitsVisualCtor: () => UnitsVisual<P>, structureVisualCtor?: () => StructureVisual<P>): StructureRepresentation<P> {
- let unitsVisuals = new Map<number, { group: Unit.SymmetryGroup, visual: UnitsVisual<P> }>()
- let structureVisual: StructureVisual<P> | undefined
+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))
+
+ 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))
+
+ 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.renderObjects
+ },
+ 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
@@ -43,14 +108,9 @@ export function StructureRepresentation<P extends StructureProps>(unitsVisualCto
_groups = StructureSymmetry.getTransformGroups(structure);
for (let i = 0; i < _groups.length; i++) {
const group = _groups[i];
- const visual = unitsVisualCtor()
+ const visual = visualCtor()
await visual.create(ctx, group, _props)
- unitsVisuals.set(group.hashCode, { visual, group })
- }
-
- if (structureVisualCtor) {
- structureVisual = structureVisualCtor()
- await structureVisual.create(ctx, structure, _props)
+ visuals.set(group.hashCode, { visual, group })
}
} else {
if (_structure.hashCode === structure.hashCode) {
@@ -58,8 +118,8 @@ export function StructureRepresentation<P extends StructureProps>(unitsVisualCto
} else {
_groups = StructureSymmetry.getTransformGroups(structure);
const newGroups: Unit.SymmetryGroup[] = []
- const oldUnitsVisuals = unitsVisuals
- unitsVisuals = new Map()
+ const oldUnitsVisuals = visuals
+ visuals = new Map()
for (let i = 0; i < _groups.length; i++) {
const group = _groups[i];
const visualGroup = oldUnitsVisuals.get(group.hashCode)
@@ -71,9 +131,9 @@ export function StructureRepresentation<P extends StructureProps>(unitsVisualCto
oldUnitsVisuals.delete(group.hashCode)
} else {
newGroups.push(group)
- const visual = unitsVisualCtor()
+ const visual = visualCtor()
await visual.create(ctx, group, _props)
- unitsVisuals.set(group.hashCode, { visual, group })
+ visuals.set(group.hashCode, { visual, group })
}
}
@@ -81,17 +141,11 @@ export function StructureRepresentation<P extends StructureProps>(unitsVisualCto
const unusedVisuals: UnitsVisual<P>[] = []
oldUnitsVisuals.forEach(({ visual }) => unusedVisuals.push(visual))
newGroups.forEach(async group => {
- const visual = unusedVisuals.pop() || unitsVisualCtor()
+ const visual = unusedVisuals.pop() || visualCtor()
await visual.create(ctx, group, _props)
- unitsVisuals.set(group.hashCode, { visual, group })
+ visuals.set(group.hashCode, { visual, group })
})
unusedVisuals.forEach(visual => visual.destroy())
-
- if (structureVisual) {
- if (!await structureVisual.update(ctx, _props)) {
- await structureVisual.create(ctx, _structure, _props)
- }
- }
}
}
_structure = structure
@@ -100,57 +154,38 @@ export function StructureRepresentation<P extends StructureProps>(unitsVisualCto
function update(props: P) {
return Task.create('Updating StructureRepresentation', async ctx => {
- console.log(getQualityProps(props, _structure))
_props = Object.assign({}, DefaultStructureProps, _props, props, getQualityProps(props, _structure))
- console.log('update struct', (_props as any).detail, (_props as any).radialSegments)
-
- unitsVisuals.forEach(async ({ visual, group }) => {
+ visuals.forEach(async ({ visual, group }) => {
if (!await visual.update(ctx, _props)) {
await visual.create(ctx, group, _props)
}
})
-
- if (structureVisual) {
- if (!await structureVisual.update(ctx, _props)) {
- await structureVisual.create(ctx, _structure, _props)
- }
- }
})
}
function getLoci(pickingId: PickingId) {
let loci: Loci = EmptyLoci
- unitsVisuals.forEach(({ visual }) => {
+ visuals.forEach(({ visual }) => {
const _loci = visual.getLoci(pickingId)
if (!isEmptyLoci(_loci)) loci = _loci
})
- if (structureVisual) {
- const _loci = structureVisual.getLoci(pickingId)
- if (!isEmptyLoci(_loci)) loci = _loci
- }
return loci
}
function mark(loci: Loci, action: MarkerAction) {
- unitsVisuals.forEach(({ visual }) => visual.mark(loci, action))
- if (structureVisual) structureVisual.mark(loci, action)
+ visuals.forEach(({ visual }) => visual.mark(loci, action))
}
function destroy() {
- unitsVisuals.forEach(({ visual }) => visual.destroy())
- unitsVisuals.clear()
- if (structureVisual) {
- structureVisual.destroy()
- structureVisual = undefined
- }
+ visuals.forEach(({ visual }) => visual.destroy())
+ visuals.clear()
}
return {
get renderObjects() {
const renderObjects: RenderObject[] = []
- unitsVisuals.forEach(({ visual }) => renderObjects.push(...visual.renderObjects))
- if (structureVisual) renderObjects.push(...structureVisual.renderObjects)
+ visuals.forEach(({ visual }) => renderObjects.push(...visual.renderObjects))
return renderObjects
},
get props() {
diff --git a/src/mol-geo/representation/structure/spacefill.ts b/src/mol-geo/representation/structure/spacefill.ts
index 7847fd9f65c63555a72bd351c4aced7f23a10ad7..37ab7eba9d60c3d8167f714487c3bca3d2c72c7a 100644
--- a/src/mol-geo/representation/structure/spacefill.ts
+++ b/src/mol-geo/representation/structure/spacefill.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { StructureRepresentation } from '.';
+import { StructureUnitsRepresentation } from '.';
import { ElementSphereVisual, DefaultElementSphereProps } from './visual/element-sphere';
export const DefaultSpacefillProps = {
@@ -13,5 +13,5 @@ export const DefaultSpacefillProps = {
export type SpacefillProps = Partial<typeof DefaultSpacefillProps>
export function SpacefillRepresentation() {
- return StructureRepresentation(ElementSphereVisual)
+ return StructureUnitsRepresentation(ElementSphereVisual)
}
\ No newline at end of file
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 1ee582192a85e264e6722e62de9a2d4d8fbe7bcd..1195e0ab787fde13c298aab34fec8b93be76781b 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
@@ -77,8 +77,7 @@ export function InterUnitLinkVisual(): StructureVisual<InterUnitLinkProps> {
const transforms = createIdentityTransform()
if (ctx.shouldUpdate) await ctx.update('Computing link colors');
- const color = createUniformColor({ value: 0x999911 })
- // const color = chainIdLinkColorData({ group, elementCount })
+ const color = createUniformColor({ value: 0x999911 }) // TODO
if (ctx.shouldUpdate) await ctx.update('Computing link marks');
const marker = createMarkers(instanceCount * elementCount)
diff --git a/src/mol-geo/representation/structure/visual/intra-unit-link-cylinder.ts b/src/mol-geo/representation/structure/visual/intra-unit-link-cylinder.ts
index f6633c75dccdb4873b5e5ad2c0c031dd9fed4f63..c747d572699659886f9fa2c05c128eb75cef75a1 100644
--- a/src/mol-geo/representation/structure/visual/intra-unit-link-cylinder.ts
+++ b/src/mol-geo/representation/structure/visual/intra-unit-link-cylinder.ts
@@ -94,8 +94,7 @@ export function IntraUnitLinkVisual(): UnitsVisual<IntraUnitLinkProps> {
const transforms = createTransforms(group)
if (ctx.shouldUpdate) await ctx.update('Computing link colors');
- // const color = createUniformColor({ value: 0xFF0000 })
- const color = chainIdLinkColorData({ group, elementCount })
+ const color = chainIdLinkColorData({ group, elementCount }) // TODO
if (ctx.shouldUpdate) await ctx.update('Computing link marks');
const marker = createMarkers(instanceCount * elementCount)
@@ -118,8 +117,10 @@ export function IntraUnitLinkVisual(): UnitsVisual<IntraUnitLinkProps> {
async update(ctx: RuntimeContext, props: IntraUnitLinkProps) {
const newProps = Object.assign({}, currentProps, props)
- if (!cylinders || currentProps.radialSegments !== newProps.radialSegments) return false
- // TODO
+ if (!cylinders) return false
+
+ // TODO create in-place
+ if (currentProps.radialSegments !== newProps.radialSegments) return false
updateMeshValues(cylinders.values, newProps)
updateRenderableState(cylinders.state, newProps)