diff --git a/src/mol-plugin-state/actions/structure.ts b/src/mol-plugin-state/actions/structure.ts
index 491bb1d843ee12590bda83f8e6911bedfc83c571..715bc094bcd3beb881847c5bba9040caaeae1b6e 100644
--- a/src/mol-plugin-state/actions/structure.ts
+++ b/src/mol-plugin-state/actions/structure.ts
@@ -227,24 +227,28 @@ const DownloadStructure = StateAction.build({
await state.transaction(async () => {
if (downloadParams.length > 0 && asTrajectory) {
- const data = await plugin.builders.data.downloadBlob({
+ const blob = await plugin.builders.data.downloadBlob({
sources: downloadParams.map((src, i) => ({ id: '' + i, url: src.url, isBinary: src.isBinary })),
maxConcurrency: 6
}, { state: { isGhost: true } });
- const traj = await plugin.builders.structure.parseTrajectory(data, {
- formats: downloadParams.map((_, i) => ({ id: '' + i, format: 'cif' as 'cif' }))
+ const { structure } = await plugin.builders.structure.parseStructure({
+ blob,
+ blobParams: { formats: downloadParams.map((_, i) => ({ id: '' + i, format: 'cif' as 'cif' })) },
+ modelProperties: supportProps,
+ structureProperties: supportProps
});
- const { model } = await plugin.builders.structure.createModel(traj, { properties: supportProps });
- const { structure } = await plugin.builders.structure.createStructure(model, { structure: src.params.structure.type, properties: supportProps });
if (createRepr) {
await plugin.builders.representation.structurePreset(structure, 'auto');
}
} else {
for (const download of downloadParams) {
const data = await plugin.builders.data.download(download, { state: { isGhost: true } });
- const traj = await plugin.builders.structure.parseTrajectory(data, format);
- const { model } = await plugin.builders.structure.createModel(traj, { properties: supportProps });
- const { structure } = await plugin.builders.structure.createStructure(model, { structure: src.params.structure.type, properties: supportProps });
+ const { structure } = await plugin.builders.structure.parseStructure({
+ data,
+ dataFormat: format,
+ modelProperties: supportProps,
+ structureProperties: supportProps
+ });
if (createRepr) {
await plugin.builders.representation.structurePreset(structure, 'auto');
}
@@ -366,10 +370,7 @@ export const EnableModelCustomProps = StateAction.build({
isApplicable(a, t, ctx: PluginContext) {
return t.transformer !== CustomModelProperties;
}
-})(({ ref, params, state }, ctx: PluginContext) => {
- const root = state.build().to(ref).insert(CustomModelProperties, params);
- return state.updateTree(root);
-});
+})(({ ref, params }, ctx: PluginContext) => ctx.builders.structure.insertModelProperties(ref, params));
export const EnableStructureCustomProps = StateAction.build({
display: { name: 'Custom Structure Properties', description: 'Enable parameters for custom properties of the structure.' },
@@ -380,10 +381,7 @@ export const EnableStructureCustomProps = StateAction.build({
isApplicable(a, t, ctx: PluginContext) {
return t.transformer !== CustomStructureProperties;
}
-})(({ ref, params, state }, ctx: PluginContext) => {
- const root = state.build().to(ref).insert(CustomStructureProperties, params);
- return state.updateTree(root);
-});
+})(({ ref, params }, ctx: PluginContext) => ctx.builders.structure.insertStructureProperties(ref, params));
export const TransformStructureConformation = StateAction.build({
display: { name: 'Transform Conformation' },
diff --git a/src/mol-plugin-state/builder/structure.ts b/src/mol-plugin-state/builder/structure.ts
index 9eb66bdbb4a47a34369b05443203c74708d23879..047c3178599ba0bd691910cee33c20f1e425f361 100644
--- a/src/mol-plugin-state/builder/structure.ts
+++ b/src/mol-plugin-state/builder/structure.ts
@@ -64,6 +64,39 @@ export class StructureBuilder {
return trajectory.selector;
}
+ async parseStructure(params: {
+ data?: StateObjectRef<SO.Data.Binary | SO.Data.String>,
+ dataFormat?: TrajectoryFormat,
+ blob?: StateObjectRef<SO.Data.Blob>
+ blobParams?: StateTransformer.Params<StateTransforms['Data']['ParseBlob']>,
+ model?: StateTransformer.Params<StateTransforms['Model']['ModelFromTrajectory']>,
+ modelProperties?: boolean | StateTransformer.Params<StateTransforms['Model']['CustomModelProperties']>,
+ structure?: RootStructureDefinition.Params,
+ structureProperties?: boolean | StateTransformer.Params<StateTransforms['Model']['CustomStructureProperties']>
+ }) {
+ const trajectory = params.data
+ ? await this.parseTrajectory(params.data, params.dataFormat! || 'cif')
+ : await this.parseTrajectoryBlob(params.blob!, params.blobParams!);
+
+ const model = await this.createModel(trajectory, params.model);
+ const modelProperties = !!params.modelProperties
+ ? await this.insertModelProperties(model, typeof params?.modelProperties !== 'boolean' ? params?.modelProperties : void 0) : void 0;
+
+ const structure = await this.createStructure(modelProperties || model, params.structure);
+ const structureProperties = !!params.structureProperties
+ ? await this.insertStructureProperties(structure, typeof params?.structureProperties !== 'boolean' ? params?.structureProperties : void 0) : void 0;
+
+ return {
+ trajectory,
+ model: modelProperties || model,
+ modelBase: model,
+ modelProperties,
+ structure: structureProperties || structure,
+ structureBase: structure,
+ structureProperties
+ };
+ }
+
async parseTrajectory(data: StateObjectRef<SO.Data.Binary | SO.Data.String>, format: TrajectoryFormat): Promise<StateObjectSelector<SO.Molecule.Trajectory>>
async parseTrajectory(blob: StateObjectRef<SO.Data.Blob>, params: StateTransformer.Params<StateTransforms['Data']['ParseBlob']>): Promise<StateObjectSelector<SO.Molecule.Trajectory>>
async parseTrajectory(data: StateObjectRef, params: any) {
@@ -79,43 +112,57 @@ export class StructureBuilder {
}
}
- async createModel(trajectory: StateObjectRef<SO.Molecule.Trajectory>, params?: {
- model?: StateTransformer.Params<StateTransforms['Model']['ModelFromTrajectory']>,
- properties?: boolean | StateTransformer.Params<StateTransforms['Model']['CustomModelProperties']>
- }) {
+ async createModel(trajectory: StateObjectRef<SO.Molecule.Trajectory>, params?: StateTransformer.Params<StateTransforms['Model']['ModelFromTrajectory']>) {
const state = this.dataState;
const model = state.build().to(trajectory)
- .apply(StateTransforms.Model.ModelFromTrajectory, params?.model || void 0, { tags: StructureBuilderTags.Model });
+ .apply(StateTransforms.Model.ModelFromTrajectory, params || { modelIndex: 0 }, { tags: StructureBuilderTags.Model });
- const props = !!params?.properties
- ? model.apply(StateTransforms.Model.CustomModelProperties, typeof params?.properties !== 'boolean' ? params?.properties : void 0, { tags: StructureBuilderTags.ModelProperties, isDecorator: true })
- : void 0;
+ // const props = !!params?.properties
+ // ? model.apply(StateTransforms.Model.CustomModelProperties, typeof params?.properties !== 'boolean' ? params?.properties : void 0, { tags: StructureBuilderTags.ModelProperties, isDecorator: true })
+ // : void 0;
await this.plugin.runTask(this.dataState.updateTree(model, { revertOnError: true }));
- const modelSelector = model.selector, propertiesSelector = props?.selector;
+ return model.selector;
- return { model: propertiesSelector || modelSelector, index: modelSelector, properties: propertiesSelector };
+ // const modelSelector = model.selector, propertiesSelector = props?.selector;
+
+ // return { model: propertiesSelector || modelSelector, index: modelSelector, properties: propertiesSelector };
}
- async createStructure(model: StateObjectRef<SO.Molecule.Model>, params?: {
- structure?: RootStructureDefinition.Params,
- properties?: boolean | StateTransformer.Params<StateTransforms['Model']['CustomStructureProperties']>
- }) {
+ async insertModelProperties(model: StateObjectRef<SO.Molecule.Model>, params?: StateTransformer.Params<StateTransforms['Model']['CustomModelProperties']>) {
+ const state = this.dataState;
+ const props = state.build().to(model)
+ .apply(StateTransforms.Model.CustomModelProperties, params, { tags: StructureBuilderTags.ModelProperties, isDecorator: true });
+ await this.plugin.runTask(this.dataState.updateTree(props, { revertOnError: true }));
+ return props.selector;
+ }
+
+ async createStructure(model: StateObjectRef<SO.Molecule.Model>, params?: RootStructureDefinition.Params) {
const state = this.dataState;
const structure = state.build().to(model)
- .apply(StateTransforms.Model.StructureFromModel, { type: params?.structure || { name: 'assembly', params: { } } }, { tags: StructureBuilderTags.Structure });
+ .apply(StateTransforms.Model.StructureFromModel, { type: params || { name: 'assembly', params: { } } }, { tags: StructureBuilderTags.Structure });
- const props = !!params?.properties
- ? structure.apply(StateTransforms.Model.CustomStructureProperties, typeof params?.properties !== 'boolean' ? params?.properties : void 0, { tags: StructureBuilderTags.StructureProperties, isDecorator: true })
- : void 0;
+ // const props = !!params?.properties
+ // ? structure.apply(StateTransforms.Model.CustomStructureProperties, typeof params?.properties !== 'boolean' ? params?.properties : void 0, { tags: StructureBuilderTags.StructureProperties, isDecorator: true })
+ // : void 0;
await this.plugin.runTask(this.dataState.updateTree(structure, { revertOnError: true }));
- const structureSelector = structure.selector, propertiesSelector = props?.selector;
+ return structure.selector;
- return { structure: propertiesSelector || structureSelector, definition: structureSelector, properties: propertiesSelector };
+ // const structureSelector = structure.selector, propertiesSelector = props?.selector;
+
+ // return { structure: propertiesSelector || structureSelector, definition: structureSelector, properties: propertiesSelector };
+ }
+
+ async insertStructureProperties(structure: StateObjectRef<SO.Molecule.Structure>, params?: StateTransformer.Params<StateTransforms['Model']['CustomStructureProperties']>) {
+ const state = this.dataState;
+ const props = state.build().to(structure)
+ .apply(StateTransforms.Model.CustomStructureProperties, params, { tags: StructureBuilderTags.StructureProperties, isDecorator: true });
+ await this.plugin.runTask(this.dataState.updateTree(props, { revertOnError: true }));
+ return props.selector;
}
/** returns undefined if the component is empty/null */
diff --git a/src/mol-plugin-ui/plugin.tsx b/src/mol-plugin-ui/plugin.tsx
index 9ce69a933ef1b4111ed76bbde2acf3ed35472809..cc571085c37fa461ebe77b0b7d6672920022d384 100644
--- a/src/mol-plugin-ui/plugin.tsx
+++ b/src/mol-plugin-ui/plugin.tsx
@@ -247,7 +247,7 @@ export class CurrentObject extends PluginUIComponent {
let decorators: JSX.Element[] | undefined = decoratorChain.length > 1 ? [] : void 0;
for (let i = decoratorChain.length - 2; i >= 0; i--) {
const d = decoratorChain[i];
- decorators!.push(<ExpandGroup header={d.transform.transformer.definition.display.name}>
+ decorators!.push(<ExpandGroup key={`${d.transform.transformer.id}-${i}`} header={d.transform.transformer.definition.display.name}>
<UpdateTransformControl state={current.state} transform={d.transform} customHeader='none' />
</ExpandGroup>);
}
diff --git a/src/mol-state/object.ts b/src/mol-state/object.ts
index 94e97992435c55872aa9365d5ee1ee670d35ebb0..ec5d712c9e9ec7721aad9776c1aaefdca8da761d 100644
--- a/src/mol-state/object.ts
+++ b/src/mol-state/object.ts
@@ -146,8 +146,8 @@ export class StateObjectSelector<S extends StateObject = StateObject, T extends
/** Create a new build and apply update or use the provided one. */
update(params: StateTransformer.Params<T>, builder?: StateBuilder.Root | StateBuilder.To<any>): StateBuilder
- update(params: (old: StateTransformer.Params<T>) => StateTransformer.Params<T>, builder?: StateBuilder.Root | StateBuilder.To<any>): StateBuilder
- update(params: ((old: StateTransformer.Params<T>) => StateTransformer.Params<T>) | StateTransformer.Params<T>, builder?: StateBuilder.Root | StateBuilder.To<any>): StateBuilder {
+ update(params: (old: StateTransformer.Params<T>) => StateTransformer.Params<T> | void, builder?: StateBuilder.Root | StateBuilder.To<any>): StateBuilder
+ update(params: ((old: StateTransformer.Params<T>) => StateTransformer.Params<T> | void) | StateTransformer.Params<T>, builder?: StateBuilder.Root | StateBuilder.To<any>): StateBuilder {
if (!this.state) throw new Error(`To use update() from StateObjectSelector, 'state' must be defined.`);
if (!builder) builder = this.state.build();
(builder || this.state.build()).to(this).update(params);
diff --git a/src/mol-state/state/builder.ts b/src/mol-state/state/builder.ts
index d00baa243cb32810407ca77e6c1c390b242a7ae1..349fe88b5443b56e7fc29fa043b92150d6ab2d69 100644
--- a/src/mol-state/state/builder.ts
+++ b/src/mol-state/state/builder.ts
@@ -114,13 +114,7 @@ namespace StateBuilder {
* Apply the transformed to the parent node
* If no params are specified (params <- undefined), default params are lazily resolved.
*/
- apply<T extends StateTransformer<A, any, any>>(tr: T, params?: StateTransformer.Params<T>, options?: Partial<StateTransform.Options>): To<StateTransformer.To<T>, T> {
- if (options?.isDecorator) {
- const children = this.state.tree.children.get(this.ref);
- if (children.size > 0) throw new Error('Decorators can only be applied to childless nodes.');
- }
-
- const t = tr.apply(this.ref, params, options);
+ apply<T extends StateTransformer<A, any, any>>(tr: T, params?: StateTransformer.Params<T>, options?: Partial<StateTransform.Options>): To<StateTransformer.To<T>, T> {const t = tr.apply(this.ref, params, options);
this.state.tree.add(t);
this.editInfo.count++;
this.editInfo.lastUpdate = t.ref;
@@ -231,8 +225,8 @@ namespace StateBuilder {
}
}
- update<T extends StateTransformer<any, A, any>>(transformer: T, params: (old: StateTransformer.Params<T>) => StateTransformer.Params<T>): Root
- update(params: StateTransformer.Params<T> | ((old: StateTransformer.Params<T>) => StateTransformer.Params<T>)): Root
+ update<T extends StateTransformer<any, A, any>>(transformer: T, params: (old: StateTransformer.Params<T>) => StateTransformer.Params<T> | void): Root
+ update(params: StateTransformer.Params<T> | ((old: StateTransformer.Params<T>) => StateTransformer.Params<T> | void)): Root
update<T extends StateTransformer<any, A, any>>(paramsOrTransformer: T | any, provider?: (old: StateTransformer.Params<T>) => StateTransformer.Params<T>) {
let params: any;
if (provider) {