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@@ -7,12 +7,20 @@ import {
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StructureViewerBehaviourInterface,
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StructureViewerBehaviourObserverInterface
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} from "../StructureViewerBehaviourInterface";
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-import {ViewerActionManagerInterface, ViewerCallbackManagerInterface} from "../StructureViewerInterface";
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+import {
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+ ChainInfo,
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+ OperatorInfo,
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+ SaguaroRange,
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+ ViewerActionManagerInterface,
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+ ViewerCallbackManagerInterface
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+} from "../StructureViewerInterface";
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import {RcsbFvStateInterface} from "../../RcsbFvState/RcsbFvStateInterface";
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-import {Subscription} from "rxjs";
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+import {asyncScheduler, Subscription} from "rxjs";
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import {StructureLoaderInterface} from "../StructureUtils/StructureLoaderInterface";
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import {TagDelimiter} from "@rcsb/rcsb-saguaro-app";
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import {createSelectionExpressions} from "@rcsb/rcsb-molstar/build/src/viewer/helpers/selection";
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+import {RegionSelectionInterface} from "../../RcsbFvState/RcsbFvSelectorManager";
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+import {defaultInputTarget} from "concurrently/dist/src/defaults";
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export class UniprotBehaviourObserver<R> implements StructureViewerBehaviourObserverInterface<R> {
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@@ -35,12 +43,16 @@ export class UniprotBehaviourObserver<R> implements StructureViewerBehaviourObse
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}
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+type SelectedRegion = {modelId: string, labelAsymId: string, region: RegionSelectionInterface, operatorName?: string};
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class UniprotBehaviour<R> implements StructureViewerBehaviourInterface {
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private readonly structureViewer: ViewerCallbackManagerInterface & ViewerActionManagerInterface<R>;
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private readonly stateManager: RcsbFvStateInterface;
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private readonly subscription: Subscription;
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private readonly structureLoader: StructureLoaderInterface<[ViewerCallbackManagerInterface & ViewerActionManagerInterface <R>,{entryId:string;entityId:string;}]>;
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+ private readonly componentList: string[] = [];
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+
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+ private readonly CREATE_COMPONENT_THR: number = 5;
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constructor(
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structureViewer: ViewerCallbackManagerInterface & ViewerActionManagerInterface<R>,
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@@ -54,21 +66,71 @@ class UniprotBehaviour<R> implements StructureViewerBehaviourInterface {
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}
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private subscribe(): Subscription {
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- return this.stateManager.subscribe<"model-change" | "representation-change",{pdb:{entryId:string;entityId:string;}} & {tag:"polymer"|"non-polymer";isHidden:boolean;}>(async o=>{
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+ return this.stateManager.subscribe<"model-change"|"representation-change"|"feature-click",{pdb:{entryId:string;entityId:string;}} & {tag:"polymer"|"non-polymer";isHidden:boolean;} & SelectedRegion[]>(async o=>{
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if(o.type == "model-change" && o.view == "1d-view" && o.data)
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await this.modelChange(o.data);
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if(o.type == "representation-change" && o.view == "1d-view" && o.data)
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this.reprChange(o.data);
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+ if(o.type == "selection-change" && o.view == "1d-view")
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+ this.selectionChange();
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+ if(o.type == "hover-change" && o.view == "1d-view")
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+ this.hoverChange();
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+ if(o.type == "feature-click" && o.view == "1d-view" && o.data)
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+ await this.featureClick(o.data)
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+ if(o.type == "selection-change" && o.view == "3d-view")
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+ await this.isSelectionEmpty();
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});
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}
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- featureClick(): void {
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+ async featureClick(data?: SelectedRegion[]): Promise<void> {
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+ let onetimeCall = (d: SelectedRegion) => {
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+ const {modelId, labelAsymId, region, operatorName} = d;
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+ const regions = [region];
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+ const residues: number[] = regions.map(r=> r.begin == r.end ? [r.begin] : [r.begin,r.end]).flat().filter(r=>r!=null);
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+ this.structureViewer.cameraFocus(modelId, labelAsymId, residues, operatorName);
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+ onetimeCall = ()=>{};
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+ };
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+ await this.removeComponent();
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+ if(!data || data.length == 0)
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+ this.resetPluginView();
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+ data?.forEach(d=>{
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+ const {modelId, labelAsymId, region, operatorName} = d;
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+ const regions = [region];
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+ if(modelId && labelAsymId && Array.isArray(regions) && regions.length > 0) {
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+ const residues: number[] = regions.map(r=> r.begin == r.end ? [r.begin] : [r.begin,r.end]).flat().filter(r=>r!=null);
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+ if(residues.length == 0)
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+ return;
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+ if(residues.length == 1)
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+ this.structureViewer.setFocus(modelId,labelAsymId,residues[0],residues[0],operatorName);
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+ onetimeCall(d);
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+ const ranges: SaguaroRange[] = regions.map(r=>({
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+ modelId,
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+ labelAsymId,
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+ begin: r.begin,
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+ end: r.end
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+ }));
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+ const nRes = ranges.map(r=>r.end-r.begin+1).reduce((prev,curr)=>curr+prev,0);
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+ if( nRes <= this.CREATE_COMPONENT_THR)
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+ asyncScheduler.schedule(async ()=>{
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+ const x = residues[0];
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+ const y = residues[residues.length-1];
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+ const selectedComponentId = `${modelId}${TagDelimiter.instance}${labelAsymId +":"+ ((x === y) ? x.toString() : x.toString()+","+y.toString())}`;
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+ await this.structureViewer.createComponent(selectedComponentId!,ranges, "ball-and-stick");
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+ this.componentList.push(selectedComponentId);
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+ });
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+
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+ }else{
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+ this.structureViewer.clearSelection("select", {modelId, labelAsymId});
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+ }
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+ })
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}
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hoverChange(): void {
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+ this.select("hover")
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}
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selectionChange(): void {
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+ this.select("select")
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}
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unsubscribe(): void {
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@@ -78,14 +140,20 @@ class UniprotBehaviour<R> implements StructureViewerBehaviourInterface {
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if(data){
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switch (data.tag){
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case "aligned":
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- const asymId: string|undefined = this.stateManager.assemblyModelSate.getModelChainInfo(`${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}`)?.chains[0].label;
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- const componentId: string = `${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}${TagDelimiter.instance}${asymId}${TagDelimiter.assembly}${"polymer"}`;
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- this.structureViewer.displayComponent(componentId, !data.isHidden);
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+ const chain: ChainInfo|undefined = this.stateManager.assemblyModelSate.getModelChainInfo(`${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}`)?.chains.find(ch=>ch.entityId==data.pdb.entityId);
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+ if(chain){
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+ const asymId: string|undefined = chain.label;
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+ const operatorInfo: OperatorInfo[] = chain.operators ?? [];
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+ const componentId: string = `${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}${TagDelimiter.instance}${asymId}${TagDelimiter.assembly}${operatorInfo[0].ids.join(",")}${TagDelimiter.assembly}${"polymer"}`;
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+ this.structureViewer.displayComponent(componentId, !data.isHidden);
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+ }
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break;
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case "polymer":
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this.stateManager.assemblyModelSate.getModelChainInfo(`${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}`)?.chains.map(ch=>ch.label).forEach(asymId=>{
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- const componentId: string = `${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}${TagDelimiter.instance}${asymId}${TagDelimiter.assembly}${data.tag}`;
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- this.structureViewer.displayComponent(componentId, !data.isHidden);
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+ this.stateManager.assemblyModelSate.getModelChainInfo(`${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}`)?.chains[0].operators.forEach(operatorInfo=>{
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+ const componentId: string = `${data.pdb.entryId}${TagDelimiter.entity}${data.pdb.entityId}${TagDelimiter.instance}${asymId}${TagDelimiter.assembly}${operatorInfo.ids.join(",")}${TagDelimiter.assembly}${data.tag}`;
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+ this.structureViewer.displayComponent(componentId, !data.isHidden);
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+ });
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});
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break;
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case "non-polymer":
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@@ -103,6 +171,38 @@ class UniprotBehaviour<R> implements StructureViewerBehaviourInterface {
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await this.structureLoader.load(this.structureViewer, data.pdb);
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}
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+ private select(mode:"select"|"hover"): void{
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+ if(this.stateManager.selectionState.getSelection(mode).length == 0)
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+ this.structureViewer.clearSelection(mode);
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+ this.structureViewer.select(this.stateManager.selectionState.getSelection(mode).map(selectedRegion=>{
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+ return selectedRegion.regions.map(region=>{
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+ return {
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+ modelId: selectedRegion.modelId,
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+ labelAsymId: selectedRegion.labelAsymId,
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+ operatorName: selectedRegion.operatorName,
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+ begin: region.begin,
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+ end: region.end
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+ };
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+ })
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+ }).flat(), mode, "set");
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+ }
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+
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+ private resetPluginView(): void {
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+ this.structureViewer.clearFocus();
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+ this.structureViewer.resetCamera();
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+ }
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+ private async isSelectionEmpty(): Promise<void> {
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+ if(this.stateManager.selectionState.getLastSelection() == null) {
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+ await this.removeComponent();
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+ this.resetPluginView();
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+ }
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+ }
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+
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+ private async removeComponent(): Promise<void> {
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+ await Promise.all(this.componentList.map(async compId=>{
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+ await this.structureViewer.removeComponent(compId);
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+ }));
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+ }
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}
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bioinsilico