From 019d03b57732e3aa621266eb428784a0b0ab7d69 Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Thu, 7 Mar 2019 14:53:14 +0100
Subject: [PATCH] wip refactoring RepresentationState
---
src/apps/basic-wrapper/index.ts | 2 +-
src/examples/proteopedia-wrapper/index.ts | 2 +-
src/mol-canvas3d/canvas3d.ts | 11 ++-
.../structure/util/unit-transforms.ts | 6 ++
src/mol-plugin/behavior/dynamic/animation.ts | 12 +--
.../behavior/dynamic/representation.ts | 80 ++-----------------
.../dynamic/volume-streaming/transformers.ts | 8 +-
.../behavior/static/representation.ts | 44 +++++++---
src/mol-plugin/state/animation/built-in.ts | 4 +-
src/mol-plugin/state/animation/helpers.ts | 20 +++++
src/mol-plugin/state/objects.ts | 17 ++--
.../state/transforms/representation.ts | 61 ++++++++------
12 files changed, 136 insertions(+), 131 deletions(-)
create mode 100644 src/mol-plugin/state/animation/helpers.ts
diff --git a/src/apps/basic-wrapper/index.ts b/src/apps/basic-wrapper/index.ts
index eda1d52be..383b8736c 100644
--- a/src/apps/basic-wrapper/index.ts
+++ b/src/apps/basic-wrapper/index.ts
@@ -123,7 +123,7 @@ class BasicWrapper {
applyStripes: async () => {
const state = this.plugin.state.dataState;
- const visuals = state.selectQ(q => q.ofType(PluginStateObject.Molecule.Representation3D).filter(c => c.transform.transformer === StateTransforms.Representation.StructureRepresentation3D));
+ const visuals = state.selectQ(q => q.ofType(PluginStateObject.Molecule.Structure.Representation3D).filter(c => c.transform.transformer === StateTransforms.Representation.StructureRepresentation3D));
const tree = state.build();
const colorTheme = { name: StripedResidues.Descriptor.name, params: this.plugin.structureRepresentation.themeCtx.colorThemeRegistry.get(StripedResidues.Descriptor.name).defaultValues };
diff --git a/src/examples/proteopedia-wrapper/index.ts b/src/examples/proteopedia-wrapper/index.ts
index bc61ea58d..91677335b 100644
--- a/src/examples/proteopedia-wrapper/index.ts
+++ b/src/examples/proteopedia-wrapper/index.ts
@@ -190,7 +190,7 @@ class MolStarProteopediaWrapper {
const state = this.state;
- // const visuals = state.selectQ(q => q.ofType(PluginStateObject.Molecule.Representation3D).filter(c => c.transform.transformer === StateTransforms.Representation.StructureRepresentation3D));
+ // const visuals = state.selectQ(q => q.ofType(PluginStateObject.Molecule.Structure.Representation3D).filter(c => c.transform.transformer === StateTransforms.Representation.StructureRepresentation3D));
const tree = state.build();
const colorTheme = { name: EvolutionaryConservation.Descriptor.name, params: this.plugin.structureRepresentation.themeCtx.colorThemeRegistry.get(EvolutionaryConservation.Descriptor.name).defaultValues };
diff --git a/src/mol-canvas3d/canvas3d.ts b/src/mol-canvas3d/canvas3d.ts
index b4facc8c7..e4491ed0f 100644
--- a/src/mol-canvas3d/canvas3d.ts
+++ b/src/mol-canvas3d/canvas3d.ts
@@ -52,7 +52,7 @@ interface Canvas3D {
add: (repr: Representation.Any) => void
remove: (repr: Representation.Any) => void
- update: () => void
+ update: (repr?: Representation.Any, keepBoundingSphere?: boolean) => void
clear: () => void
// draw: (force?: boolean) => void
@@ -357,7 +357,14 @@ namespace Canvas3D {
reprCount.next(reprRenderObjects.size)
}
},
- update: () => scene.update(void 0, false),
+ update: (repr, keepSphere) => {
+ if (repr) {
+ if (!reprRenderObjects.has(repr)) return;
+ scene.update(repr.renderObjects, !!keepSphere);
+ } else {
+ scene.update(void 0, !!keepSphere)
+ }
+ },
clear: () => {
reprRenderObjects.clear()
scene.clear()
diff --git a/src/mol-model/structure/structure/util/unit-transforms.ts b/src/mol-model/structure/structure/util/unit-transforms.ts
index 84f2c5d6b..2569f17e4 100644
--- a/src/mol-model/structure/structure/util/unit-transforms.ts
+++ b/src/mol-model/structure/structure/util/unit-transforms.ts
@@ -15,9 +15,11 @@ export class StructureUnitTransforms {
/** maps unit.id to offset of transform in unitTransforms */
private unitOffsetMap = IntMap.Mutable<number>();
private groupIndexMap = IntMap.Mutable<number>();
+ private size: number;
constructor(readonly structure: Structure) {
this.unitTransforms = new Float32Array(structure.units.length * 16)
+ this.size = structure.units.length
fillIdentityTransform(this.unitTransforms, structure.units.length)
let groupOffset = 0
for (let i = 0, il = structure.unitSymmetryGroups.length; i <il; ++i) {
@@ -32,6 +34,10 @@ export class StructureUnitTransforms {
}
}
+ reset() {
+ fillIdentityTransform(this.unitTransforms, this.size);
+ }
+
setTransform(matrix: Mat4, unit: Unit) {
Mat4.toArray(matrix, this.unitTransforms, this.unitOffsetMap.get(unit.id))
}
diff --git a/src/mol-plugin/behavior/dynamic/animation.ts b/src/mol-plugin/behavior/dynamic/animation.ts
index b6d6e21d1..d3bf85519 100644
--- a/src/mol-plugin/behavior/dynamic/animation.ts
+++ b/src/mol-plugin/behavior/dynamic/animation.ts
@@ -63,7 +63,7 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
rotate(rad: number) {
this.updatedUnitTransforms.clear()
const state = this.ctx.state.dataState
- const reprs = state.selectQ(q => q.rootsOfType(PluginStateObject.Molecule.Representation3D))
+ const reprs = state.selectQ(q => q.rootsOfType(PluginStateObject.Molecule.Structure.Representation3D))
Mat4.rotate(this.rotMat, this.tmpMat, rad, this.rotVec)
for (const r of reprs) {
if (!SO.isRepresentation3D(r.obj)) return
@@ -90,8 +90,8 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
this.updatedUnitTransforms.add(structure.obj)
}
- r.obj.data.setState({ unitTransforms })
- this.ctx.canvas3d.add(r.obj.data)
+ r.obj.data.repr.setState({ unitTransforms })
+ this.ctx.canvas3d.add(r.obj.data.repr)
}
this.ctx.canvas3d.requestDraw(true)
}
@@ -111,7 +111,7 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
explode(p: number) {
this.updatedUnitTransforms.clear()
const state = this.ctx.state.dataState
- const reprs = state.selectQ(q => q.rootsOfType(PluginStateObject.Molecule.Representation3D));
+ const reprs = state.selectQ(q => q.rootsOfType(PluginStateObject.Molecule.Structure.Representation3D));
for (const r of reprs) {
if (!SO.isRepresentation3D(r.obj)) return
const structure = getRootStructure(r, state)
@@ -134,8 +134,8 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
this.updatedUnitTransforms.add(structure.obj)
}
- r.obj.data.setState({ unitTransforms })
- this.ctx.canvas3d.add(r.obj.data)
+ r.obj.data.repr.setState({ unitTransforms })
+ this.ctx.canvas3d.add(r.obj.data.repr)
}
this.ctx.canvas3d.requestDraw(true)
}
diff --git a/src/mol-plugin/behavior/dynamic/representation.ts b/src/mol-plugin/behavior/dynamic/representation.ts
index 99fb4cf56..12e7a4222 100644
--- a/src/mol-plugin/behavior/dynamic/representation.ts
+++ b/src/mol-plugin/behavior/dynamic/representation.ts
@@ -26,7 +26,6 @@ import { compile } from 'mol-script/runtime/query/compiler';
import { Overpaint } from 'mol-theme/overpaint';
import { parseMolScript } from 'mol-script/language/parser';
import { transpileMolScript } from 'mol-script/script/mol-script/symbols';
-import { SymmetryOperator } from 'mol-math/geometry';
export const HighlightLoci = PluginBehavior.create({
name: 'representation-highlight-loci',
@@ -137,7 +136,7 @@ export namespace ExplodeRepresentation3D {
export class Behavior implements PluginBehavior<Params> {
private currentT = 0;
- private repr: StateObjectTracker<PluginStateObject.Molecule.Representation3D>;
+ private repr: StateObjectTracker<PluginStateObject.Molecule.Structure.Representation3D>;
private structure: StateObjectTracker<PluginStateObject.Molecule.Structure>;
private transforms: StructureUnitTransforms;
@@ -151,7 +150,7 @@ export namespace ExplodeRepresentation3D {
}
register(ref: string): void {
- this.repr.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Representation3D]));
+ this.repr.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Structure.Representation3D]));
this.structure.setQuery(StateSelection.Generators.byRef(ref).rootOfType([PluginStateObject.Molecule.Structure]));
this.update(this.params);
}
@@ -185,8 +184,8 @@ export namespace ExplodeRepresentation3D {
// TODO: where to handle unitTransforms composition?
// Manually or inside the representation? "inside" would better compose with future additions.
- this.repr.data.setState({ unitTransforms: this.transforms });
- this.ctx.canvas3d.add(this.repr.data);
+ this.repr.data.repr.setState({ unitTransforms: this.transforms });
+ this.ctx.canvas3d.add(this.repr.data.repr);
this.ctx.canvas3d.requestDraw(true);
return true;
@@ -226,7 +225,7 @@ export namespace ColorRepresentation3D {
export class Behavior implements PluginBehavior<Params> {
private currentColorMappings: ColorMappings = [];
- private repr: StateObjectTracker<PluginStateObject.Molecule.Representation3D>;
+ private repr: StateObjectTracker<PluginStateObject.Molecule.Structure.Representation3D>;
private structure: StateObjectTracker<PluginStateObject.Molecule.Structure>;
private updateData() {
@@ -236,7 +235,7 @@ export namespace ColorRepresentation3D {
}
register(ref: string): void {
- this.repr.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Representation3D]));
+ this.repr.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Structure.Representation3D]));
this.structure.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Structure]));
this.update(this.params);
}
@@ -272,8 +271,8 @@ export namespace ColorRepresentation3D {
private applyLayers(layers: Overpaint.Layers): boolean {
if (!this.repr.data) return true;
- this.repr.data.setOverpaint(layers)
- this.ctx.canvas3d.add(this.repr.data);
+ this.repr.data.repr.setOverpaint(layers)
+ this.ctx.canvas3d.add(this.repr.data.repr);
this.ctx.canvas3d.requestDraw(true);
return true;
}
@@ -291,67 +290,4 @@ export namespace ColorRepresentation3D {
}
export class Obj extends PluginStateObject.CreateBehavior<Behavior>({ name: 'Color Representation3D Behavior' }) { }
-}
-
-export namespace UnwindAssemblyRepresentation3D {
- export const Params = {
- t: PD.Numeric(0, { min: 0, max: 1, step: 0.01 })
- }
- export type Params = PD.Values<typeof Params>
-
- export class Behavior implements PluginBehavior<Params> {
- private currentT = 0;
- private repr: StateObjectTracker<PluginStateObject.Molecule.Representation3D>;
- private structure: StateObjectTracker<PluginStateObject.Molecule.Structure>;
- private transforms: StructureUnitTransforms;
-
- private updateData() {
- const reprUpdated = this.repr.update();
- const strUpdated = this.structure.update();
- if (strUpdated && this.structure.data) {
- this.transforms = new StructureUnitTransforms(this.structure.data);
- }
- return reprUpdated || strUpdated;
- }
-
- register(ref: string): void {
- this.repr.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Representation3D]));
- this.structure.setQuery(StateSelection.Generators.byRef(ref).rootOfType([PluginStateObject.Molecule.Structure]));
- this.update(this.params);
- }
-
- private transMat = Mat4.zero();
-
- update(params: Params): boolean | Promise<boolean> {
- if (!this.updateData() && params.t === this.currentT) return false;
- this.currentT = params.t;
- if (!this.structure.data || !this.repr.data) return true;
-
- const structure = this.structure.data;
- for (let i = 0, _i = structure.units.length; i < _i; i++) {
- const u = structure.units[i];
- SymmetryOperator.lerpFromIdentity(this.transMat, u.conformation.operator, this.currentT);
- this.transforms.setTransform(this.transMat, u);
- }
-
- this.repr.data.setState({ unitTransforms: this.transforms });
- this.ctx.canvas3d.add(this.repr.data);
- this.ctx.canvas3d.requestDraw(true);
-
- return true;
- }
-
- unregister(): void {
- this.update({ t: 0 })
- this.repr.cell = void 0;
- this.structure.cell = void 0;
- }
-
- constructor(private ctx: PluginContext, private params: Params) {
- this.repr = new StateObjectTracker(ctx.state.dataState);
- this.structure = new StateObjectTracker(ctx.state.dataState);
- }
- }
-
- export class Obj extends PluginStateObject.CreateBehavior<Behavior>({ name: 'Explode Representation3D Behavior' }) { }
}
\ No newline at end of file
diff --git a/src/mol-plugin/behavior/dynamic/volume-streaming/transformers.ts b/src/mol-plugin/behavior/dynamic/volume-streaming/transformers.ts
index 57b40fc92..42e01f596 100644
--- a/src/mol-plugin/behavior/dynamic/volume-streaming/transformers.ts
+++ b/src/mol-plugin/behavior/dynamic/volume-streaming/transformers.ts
@@ -179,7 +179,7 @@ const VolumeStreamingVisual = PluginStateTransform.BuiltIn({
const repr = provider.factory({ webgl: plugin.canvas3d.webgl, ...plugin.volumeRepresentation.themeCtx }, provider.getParams)
repr.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: channel.data }, params))
await repr.createOrUpdate(props, channel.data).runInContext(ctx);
- return new SO.Volume.Representation3D(repr, { label: `${Math.round(channel.isoValue.relativeValue * 100) / 100} Ď [${srcParams.channel}]` });
+ return new SO.Volume.Representation3D({ repr, source: a }, { label: `${Math.round(channel.isoValue.relativeValue * 100) / 100} Ď [${srcParams.channel}]` });
}),
update: ({ a, b, oldParams, newParams }, plugin: PluginContext) => Task.create('Volume Representation', async ctx => {
// TODO : check if params/underlying data/etc have changed; maybe will need to export "data" or some other "tag" in the Representation for this to work
@@ -189,9 +189,9 @@ const VolumeStreamingVisual = PluginStateTransform.BuiltIn({
if (!channel) return StateTransformer.UpdateResult.Unchanged;
const params = createVolumeProps(a.data, newParams.channel);
- const props = { ...b.data.props, ...params.type.params };
- b.data.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: channel.data }, params))
- await b.data.createOrUpdate(props, channel.data).runInContext(ctx);
+ const props = { ...b.data.repr.props, ...params.type.params };
+ b.data.repr.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: channel.data }, params))
+ await b.data.repr.createOrUpdate(props, channel.data).runInContext(ctx);
return StateTransformer.UpdateResult.Updated;
})
});
diff --git a/src/mol-plugin/behavior/static/representation.ts b/src/mol-plugin/behavior/static/representation.ts
index 37e0d8bee..06959d02b 100644
--- a/src/mol-plugin/behavior/static/representation.ts
+++ b/src/mol-plugin/behavior/static/representation.ts
@@ -11,6 +11,7 @@ import { State } from 'mol-state';
export function registerDefault(ctx: PluginContext) {
SyncRepresentationToCanvas(ctx);
+ SyncStructureRepresentation3DState(ctx); // should be AFTER SyncRepresentationToCanvas
UpdateRepresentationVisibility(ctx);
}
@@ -20,44 +21,65 @@ export function SyncRepresentationToCanvas(ctx: PluginContext) {
const events = ctx.state.dataState.events;
events.object.created.subscribe(e => {
if (!SO.isRepresentation3D(e.obj)) return;
- updateVisibility(e, e.obj.data);
- e.obj.data.setState({ syncManually: true });
- ctx.canvas3d.add(e.obj.data);
+ updateVisibility(e, e.obj.data.repr);
+ e.obj.data.repr.setState({ syncManually: true });
+ ctx.canvas3d.add(e.obj.data.repr);
if (reprCount === 0) ctx.canvas3d.resetCamera();
reprCount++;
});
events.object.updated.subscribe(e => {
if (e.oldObj && SO.isRepresentation3D(e.oldObj)) {
- ctx.canvas3d.remove(e.oldObj.data);
+ ctx.canvas3d.remove(e.oldObj.data.repr);
ctx.canvas3d.requestDraw(true);
- e.oldObj.data.destroy();
+ e.oldObj.data.repr.destroy();
}
if (!SO.isRepresentation3D(e.obj)) {
return;
}
- updateVisibility(e, e.obj.data);
+ updateVisibility(e, e.obj.data.repr);
if (e.action === 'recreate') {
- e.obj.data.setState({ syncManually: true });
+ e.obj.data.repr.setState({ syncManually: true });
}
- ctx.canvas3d.add(e.obj.data);
+ ctx.canvas3d.add(e.obj.data.repr);
});
events.object.removed.subscribe(e => {
if (!SO.isRepresentation3D(e.obj)) return;
- ctx.canvas3d.remove(e.obj.data);
+ ctx.canvas3d.remove(e.obj.data.repr);
ctx.canvas3d.requestDraw(true);
- e.obj.data.destroy();
+ e.obj.data.repr.destroy();
reprCount--;
});
}
+
+export function SyncStructureRepresentation3DState(ctx: PluginContext) {
+ // TODO: figure out how to do transform composition here?
+ const events = ctx.state.dataState.events;
+ events.object.created.subscribe(e => {
+ if (!SO.Molecule.Structure.Representation3DState.is(e.obj)) return;
+ const data = e.obj.data as SO.Molecule.Structure.Representation3DStateData;
+ data.source.data.repr.setState(data.state);
+ ctx.canvas3d.update(data.source.data.repr);
+ ctx.canvas3d.requestDraw(true);
+ });
+ events.object.updated.subscribe(e => {
+ if (!SO.Molecule.Structure.Representation3DState.is(e.obj)) return;
+ const data = e.obj.data as SO.Molecule.Structure.Representation3DStateData;
+ data.source.data.repr.setState(data.state);
+ ctx.canvas3d.update(data.source.data.repr);
+ ctx.canvas3d.requestDraw(true);
+ });
+}
+
+
export function UpdateRepresentationVisibility(ctx: PluginContext) {
ctx.state.dataState.events.cell.stateUpdated.subscribe(e => {
const cell = e.state.cells.get(e.ref)!;
if (!SO.isRepresentation3D(cell.obj)) return;
- updateVisibility(e, cell.obj.data);
+ updateVisibility(e, cell.obj.data.repr);
ctx.canvas3d.requestDraw(true);
})
}
diff --git a/src/mol-plugin/state/animation/built-in.ts b/src/mol-plugin/state/animation/built-in.ts
index 91d78700e..d60b81ffe 100644
--- a/src/mol-plugin/state/animation/built-in.ts
+++ b/src/mol-plugin/state/animation/built-in.ts
@@ -10,7 +10,6 @@ import { StateTransforms } from '../transforms';
import { StateSelection } from 'mol-state';
import { PluginCommands } from 'mol-plugin/command';
import { ParamDefinition as PD } from 'mol-util/param-definition';
-import { UnwindAssemblyRepresentation3D } from 'mol-plugin/behavior/dynamic/representation';
export const AnimateModelIndex = PluginStateAnimation.create({
name: 'built-in.animate-model-index',
@@ -93,7 +92,8 @@ export const AnimateAssemblyUnwind = PluginStateAnimation.create({
initialState: () => ({ t: 0 }),
async apply(animState, t, ctx) {
const state = ctx.plugin.state.dataState;
- const anims = state.selectQ(q => q.ofType(UnwindAssemblyRepresentation3D.Obj));
+ const anims = state.selectQ(q => q.rootsOfType(PluginStateObject.Molecule.Structure.Representation3DState)
+ .filter(c => c.transform.transformer === StateTransforms.Representation.UnwindStructureAssemblyRepresentation3D));
if (anims.length === 0) {
// nothing more to do here
diff --git a/src/mol-plugin/state/animation/helpers.ts b/src/mol-plugin/state/animation/helpers.ts
new file mode 100644
index 000000000..af25641fb
--- /dev/null
+++ b/src/mol-plugin/state/animation/helpers.ts
@@ -0,0 +1,20 @@
+/**
+ * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+
+import { SymmetryOperator } from 'mol-math/geometry';
+import { Mat4 } from 'mol-math/linear-algebra';
+import { Structure } from 'mol-model/structure';
+import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
+
+const _unwindMatrix = Mat4.zero();
+export function unwindStructureAssebmly(structure: Structure, unitTransforms: StructureUnitTransforms, t: number) {
+ for (let i = 0, _i = structure.units.length; i < _i; i++) {
+ const u = structure.units[i];
+ SymmetryOperator.lerpFromIdentity(_unwindMatrix, u.conformation.operator, t);
+ unitTransforms.setTransform(_unwindMatrix, u);
+ }
+}
\ No newline at end of file
diff --git a/src/mol-plugin/state/objects.ts b/src/mol-plugin/state/objects.ts
index 3f2f1c212..003da6788 100644
--- a/src/mol-plugin/state/objects.ts
+++ b/src/mol-plugin/state/objects.ts
@@ -10,7 +10,7 @@ import { Model as _Model, Structure as _Structure } from 'mol-model/structure';
import { VolumeData } from 'mol-model/volume';
import { PluginBehavior } from 'mol-plugin/behavior/behavior';
import { Representation } from 'mol-repr/representation';
-import { StructureRepresentation } from 'mol-repr/structure/representation';
+import { StructureRepresentation, StructureRepresentationState } from 'mol-repr/structure/representation';
import { VolumeRepresentation } from 'mol-repr/volume/representation';
import { StateObject, StateTransformer } from 'mol-state';
import { Ccp4File } from 'mol-io/reader/ccp4/schema';
@@ -27,7 +27,7 @@ export namespace PluginStateObject {
export const Create = StateObject.factory<TypeInfo>();
- export function isRepresentation3D(o?: Any): o is StateObject<Representation.Any, TypeInfo> {
+ export function isRepresentation3D(o?: Any): o is StateObject<Representation3DData<Representation.Any>, TypeInfo> {
return !!o && o.type.typeClass === 'Representation3D';
}
@@ -35,8 +35,9 @@ export namespace PluginStateObject {
return !!o && o.type.typeClass === 'Behavior';
}
- export function CreateRepresentation3D<T extends Representation.Any>(type: { name: string }) {
- return Create<T>({ ...type, typeClass: 'Representation3D' })
+ export interface Representation3DData<T extends Representation.Any, S extends StateObject = StateObject> { repr: T, source: S }
+ export function CreateRepresentation3D<T extends Representation.Any, S extends StateObject = StateObject>(type: { name: string }) {
+ return Create<Representation3DData<T, S>>({ ...type, typeClass: 'Representation3D' });
}
export function CreateBehavior<T extends PluginBehavior>(type: { name: string }) {
@@ -80,8 +81,12 @@ export namespace PluginStateObject {
export class Trajectory extends Create<ReadonlyArray<_Model>>({ name: 'Trajectory', typeClass: 'Object' }) { }
export class Model extends Create<_Model>({ name: 'Model', typeClass: 'Object' }) { }
export class Structure extends Create<_Structure>({ name: 'Structure', typeClass: 'Object' }) { }
- export class Representation3D extends CreateRepresentation3D<StructureRepresentation<any> | ShapeRepresentation<any, any, any>>({ name: 'Structure 3D' }) { }
- export class Representation3DState extends Create<{}>({ name: 'Structure 3D State', typeClass: 'Object' }) { }
+
+ export namespace Structure {
+ export class Representation3D extends CreateRepresentation3D<StructureRepresentation<any> | ShapeRepresentation<any, any, any>, Structure>({ name: 'Structure 3D' }) { }
+ export interface Representation3DStateData { source: Representation3D, state: Partial<StructureRepresentationState>, info?: unknown }
+ export class Representation3DState extends Create<Representation3DStateData>({ name: 'Structure 3D State', typeClass: 'Object' }) { }
+ }
}
export namespace Volume {
diff --git a/src/mol-plugin/state/transforms/representation.ts b/src/mol-plugin/state/transforms/representation.ts
index 2badf987c..467b20ce5 100644
--- a/src/mol-plugin/state/transforms/representation.ts
+++ b/src/mol-plugin/state/transforms/representation.ts
@@ -7,7 +7,7 @@
import { Structure } from 'mol-model/structure';
import { VolumeData, VolumeIsoValue } from 'mol-model/volume';
-import { ExplodeRepresentation3D, ColorRepresentation3D, UnwindAssemblyRepresentation3D } from 'mol-plugin/behavior/dynamic/representation';
+import { ExplodeRepresentation3D, ColorRepresentation3D } from 'mol-plugin/behavior/dynamic/representation';
import { PluginContext } from 'mol-plugin/context';
import { RepresentationProvider } from 'mol-repr/representation';
import { BuiltInStructureRepresentationsName } from 'mol-repr/structure/registry';
@@ -25,6 +25,8 @@ import { Text } from 'mol-geo/geometry/text/text';
import { ColorNames } from 'mol-util/color/tables';
import { getLabelRepresentation } from 'mol-plugin/util/structure-labels';
import { ShapeRepresentation } from 'mol-repr/shape/representation';
+import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
+import { unwindStructureAssebmly } from '../animation/helpers';
export { StructureRepresentation3D }
export { StructureRepresentation3DHelpers }
@@ -118,7 +120,7 @@ const StructureRepresentation3D = PluginStateTransform.BuiltIn({
name: 'structure-representation-3d',
display: '3D Representation',
from: SO.Molecule.Structure,
- to: SO.Molecule.Representation3D,
+ to: SO.Molecule.Structure.Representation3D,
params: (a, ctx: PluginContext) => {
const { registry, themeCtx } = ctx.structureRepresentation
const type = registry.get(registry.default.name);
@@ -173,15 +175,15 @@ const StructureRepresentation3D = PluginStateTransform.BuiltIn({
repr.setTheme(createTheme(plugin.structureRepresentation.themeCtx, { structure: a.data }, params))
// TODO set initial state, repr.setState({})
await repr.createOrUpdate(props, a.data).runInContext(ctx);
- return new SO.Molecule.Representation3D(repr, { label: provider.label });
+ return new SO.Molecule.Structure.Representation3D({ repr, source: a } , { label: provider.label });
});
},
update({ a, b, oldParams, newParams }, plugin: PluginContext) {
return Task.create('Structure Representation', async ctx => {
if (newParams.type.name !== oldParams.type.name) return StateTransformer.UpdateResult.Recreate;
- const props = { ...b.data.props, ...newParams.type.params }
- b.data.setTheme(createTheme(plugin.structureRepresentation.themeCtx, { structure: a.data }, newParams));
- await b.data.createOrUpdate(props, a.data).runInContext(ctx);
+ const props = { ...b.data.repr.props, ...newParams.type.params }
+ b.data.repr.setTheme(createTheme(plugin.structureRepresentation.themeCtx, { structure: a.data }, newParams));
+ await b.data.repr.createOrUpdate(props, a.data).runInContext(ctx);
return StateTransformer.UpdateResult.Updated;
});
}
@@ -193,7 +195,7 @@ const StructureLabels3D = PluginStateTransform.BuiltIn({
name: 'structure-labels-3d',
display: '3D Labels',
from: SO.Molecule.Structure,
- to: SO.Molecule.Representation3D,
+ to: SO.Molecule.Structure.Representation3D,
params: {
// TODO: other targets
target: PD.MappedStatic('residues', {
@@ -219,12 +221,12 @@ const StructureLabels3D = PluginStateTransform.BuiltIn({
apply({ a, params }) {
return Task.create('Structure Labels', async ctx => {
const repr = await getLabelRepresentation(ctx, a.data, params);
- return new SO.Molecule.Representation3D(repr, { label: `Labels`, description: params.target.name });
+ return new SO.Molecule.Structure.Representation3D({ repr, source: a }, { label: `Labels`, description: params.target.name });
});
},
update({ a, b, newParams }) {
return Task.create('Structure Labels', async ctx => {
- await getLabelRepresentation(ctx, a.data, newParams, b.data as ShapeRepresentation<any, any, any>);
+ await getLabelRepresentation(ctx, a.data, newParams, b.data.repr as ShapeRepresentation<any, any, any>);
return StateTransformer.UpdateResult.Updated;
});
}
@@ -234,30 +236,37 @@ type UnwindStructureAssemblyRepresentation3D = typeof UnwindStructureAssemblyRep
const UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
name: 'unwind-structure-assembly-representation-3d',
display: 'Unwind Assembly 3D Representation',
- from: SO.Molecule.Representation3D,
- to: UnwindAssemblyRepresentation3D.Obj,
- params: UnwindAssemblyRepresentation3D.Params
+ from: SO.Molecule.Structure.Representation3D,
+ to: SO.Molecule.Structure.Representation3DState,
+ params: { t: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }) }
})({
canAutoUpdate() {
return true;
},
- apply({ params }, plugin: PluginContext) {
- return new UnwindAssemblyRepresentation3D.Obj(new UnwindAssemblyRepresentation3D.Behavior(plugin, params), { label: `Unwind T = ${params.t.toFixed(2)}` });
+ apply({ a, params }, plugin: PluginContext) {
+ const structure = a.data.source.data;
+ const unitTransforms = new StructureUnitTransforms(structure);
+ unwindStructureAssebmly(structure, unitTransforms, params.t);
+ return new SO.Molecule.Structure.Representation3DState({ state: { unitTransforms }, info: structure, source: a }, { label: `Unwind T = ${params.t.toFixed(2)}` });
},
- update({ b, newParams }) {
- return Task.create('Update Unwind', async () => {
- const updated = await b.data.update(newParams);
- b.label = `Unwind T = ${newParams.t.toFixed(2)}`;
- return updated ? StateTransformer.UpdateResult.Updated : StateTransformer.UpdateResult.Unchanged;
- });
+ update({ a, b, newParams, oldParams }) {
+ const structure = b.data.info as Structure;
+ if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
+ if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
+ const unitTransforms = b.data.state.unitTransforms!;
+ unwindStructureAssebmly(structure, unitTransforms, newParams.t);
+ b.label = `Unwind T = ${newParams.t.toFixed(2)}`;
+ b.data.source = a;
+ return StateTransformer.UpdateResult.Updated;
}
});
+
type ExplodeStructureRepresentation3D = typeof ExplodeStructureRepresentation3D
const ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
name: 'explode-structure-representation-3d',
display: 'Explode 3D Representation',
- from: SO.Molecule.Representation3D,
+ from: SO.Molecule.Structure.Representation3D,
to: ExplodeRepresentation3D.Obj,
params: ExplodeRepresentation3D.Params
})({
@@ -280,7 +289,7 @@ type ColorStructureRepresentation3D = typeof ColorStructureRepresentation3D
const ColorStructureRepresentation3D = PluginStateTransform.BuiltIn({
name: 'color-structure-representation-3d',
display: 'Color 3D Representation',
- from: SO.Molecule.Representation3D,
+ from: SO.Molecule.Structure.Representation3D,
to: ColorRepresentation3D.Obj,
params: ColorRepresentation3D.Params
})({
@@ -391,15 +400,15 @@ const VolumeRepresentation3D = PluginStateTransform.BuiltIn({
repr.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: a.data }, params))
// TODO set initial state, repr.setState({})
await repr.createOrUpdate(props, a.data).runInContext(ctx);
- return new SO.Volume.Representation3D(repr, { label: provider.label, description: VolumeRepresentation3DHelpers.getDescription(props) });
+ return new SO.Volume.Representation3D({ repr, source: a }, { label: provider.label, description: VolumeRepresentation3DHelpers.getDescription(props) });
});
},
update({ a, b, oldParams, newParams }, plugin: PluginContext) {
return Task.create('Volume Representation', async ctx => {
if (newParams.type.name !== oldParams.type.name) return StateTransformer.UpdateResult.Recreate;
- const props = { ...b.data.props, ...newParams.type.params }
- b.data.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: a.data }, newParams))
- await b.data.createOrUpdate(props, a.data).runInContext(ctx);
+ const props = { ...b.data.repr.props, ...newParams.type.params }
+ b.data.repr.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: a.data }, newParams))
+ await b.data.repr.createOrUpdate(props, a.data).runInContext(ctx);
b.description = VolumeRepresentation3DHelpers.getDescription(props)
return StateTransformer.UpdateResult.Updated;
});
--
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