Issue #967: overpaint of given chain

src/Tm3DStandaloneApp/tmdet-viewer/TmViewerStandalone.ts

@@ -93,136 +93,46 @@ export class TmViewerStandalone extends Viewer {
         });
     }
 
-    async setChainColorOLD(labelAsymId: string) {
-
-        const state = this.plugin.state.data;
-
-        const selected = state.selectQ(q => q.ofTransformer(StateTransforms.Model.StructureFromModel));
-        //const str = this.plugin.managers.structure.hierarchy.current.structures[0];
-        if (selected.length == 0) {
-            console.log('Structure not found');
-            return;
-        }
-        let structure = selected[0];
-        console.log('STRUCT1', structure);
-        structure = this.plugin.managers.structure.hierarchy.current.models[0].structures[0].cell;
-        console.log('STRUCT2', structure);
-
-        // const update = this.plugin.build().to(structure);  //state.build().to(structure);
-        const query: Expression =
-            MolScriptBuilder.struct.generator.atomGroups({
-                'chain-test': MolScriptBuilder.core.rel.eq([labelAsymId, MolScriptBuilder.ammp('label_asym_id')])
-        });
-
-        const s = await this.plugin.build()
-            .to(this.plugin.managers.structure.hierarchy.current.structures[0].cell)
-            .apply(StateTransforms.Model.StructureSelectionFromExpression, { expression: query }).commit();
-        // const rangeSel = Script.getStructureSelection(Q => Q.struct.modifier.union([
-        //     Q.struct.generator.atomGroups({
-        //         // I am not sure this test will be enough, or uses the correct property, but something along these lines should do it
-        //         'chain-test': Q.core.rel.eq([Q.struct.atomProperty.macromolecular.label_asym_id(), 'A']),
-        //     })
-        // ]), );
-        const compiledQuery = compile<StructureSelection>(query);
-        const xs = this.plugin.managers.structure.hierarchy.current.structures;
-        const selections = xs.map(s => StructureSelection.toLociWithCurrentUnits(compiledQuery(new QueryContext(s.cell.obj!.data))));
-
-        console.log(selections);
-
-
-        const component = await this.plugin.builders.structure.tryCreateComponentFromExpression(structure, query, 'hello', { label: 'CHAIN-A' });
-        console.log(component);
-        // const update = this.plugin.build().to(component!.cell!);
-        // update //.apply(StateTransforms.Model.StructureSelectionFromExpression, { label: 'CHAIN-A', expression: query })
-        //     .apply(StateTransforms.Representation.StructureRepresentation3D, createStructureRepresentationParams(this.plugin, update.selector.data,
-        //         { type: 'cartoon', typeParams: { alpha: 1 },
-        //         color: 'uniform', colorParams: { value: Color.fromArray([255,0,0], 0) }  }))
-        // const result = await update.commit();
-        // console.log('Result:', result);
-
-        console.log('Component Group:', this.plugin.managers.structure.hierarchy.currentComponentGroups);
-        // await this.plugin.builders.structure.representation.addRepresentation(structure, {
-        //     type: 'cartoon',
-        //     color: 'uniform',
-        //     colorParams: {value: 0xd3d3d3}, // gray80
-        //     typeParams: {detail: 1}
-        // });
-
-        // TODO: const structureData = component!.cell!.obj!.data;
-
-        //setStructureOverpaint(this.plugin, [ structure!.obj!.data ], Color.fromRgb(255, 0, 0), this.lociGetter, undefined);
-        // console.log(component);
-        console.log('component cell', component!.cell!);
-        const structRef = this.plugin.managers.structure.hierarchy.current.refs;
-        let comps: any[] = [];
-
-        // const bundle = StructureElement.Bundle.fromLoci(selections[0]);
-        // await this.plugin.build().to(component!.cell!)
-        //     .apply(StateTransforms.Representation.OverpaintStructureRepresentation3DFromScript,
-        //         {
-        //             layers: [{
-        //                 script: query,
-        //                 color: Color.fromRgb(255, 0, 0),
-        //                 clear: false
-        //             }]
-        //         })
-        //     .commit();
-
-
-        this.plugin.managers.structure.component.currentStructures.forEach(val => comps = comps.concat(...val.components));
-setStructureOverpaint(this.plugin, comps, Color.fromRgb(255, 0, 0), this.lociGetter, undefined);
-        console.log('Components', comps);
-        // console.log('component ref', this.plugin.managers.structure.component.;
+    setChainColor(labelAsymIds: string[], hexRgb: string|false = false) {
+        this.overPaint(labelAsymIds, hexRgb, false);
     }
 
-    async setChainColor(labelAsymId: string) {
+    resetChainColor(labelAsymIds: string[]) {
+        this.overPaint(labelAsymIds, false, true);
+    }
 
+    /**
+     * Util function to handle overpaint logic.
+     * @param labelAsymId 
+     * @param hexRgb default color grey, when it is false
+     * @param clear if true, it clears the overpaint color
+     */
+    protected overPaint(labelAsymIds: string[], hexRgb: string|false = false, clear: boolean = false) {
         const state = this.plugin.state.data;
 
-        const selected = state.selectQ(q => q.ofTransformer(StateTransforms.Model.StructureFromModel));
-        //const str = this.plugin.managers.structure.hierarchy.current.structures[0];
+        const selected = state.selectQ(q => q.ofTransformer(StateTransforms.Representation.StructureRepresentation3D));
         if (selected.length == 0) {
-            console.log('Structure not found');
+            console.log('Representation not found');
             return;
         }
 
-        const query: Expression =
-            MolScriptBuilder.struct.generator.atomGroups({
-                'chain-test': MolScriptBuilder.core.rel.eq([labelAsymId, MolScriptBuilder.ammp('label_asym_id')])
-        });
-
-        // const update = this.plugin.build().to(structure)
-        const update = this.plugin.build().to(Array.from(state.cells.values())[13]);
-        update //.apply(StateTransforms.Model.StructureSelectionFromExpression, { label: 'CHAIN-A', expression: query })
-            // .apply(StateTransforms.Representation.StructureRepresentation3D, createStructureRepresentationParams(this.plugin, update.selector.data,
-            //     { type: 'cartoon', typeParams: { alpha: 1 },
-            //     color: 'uniform', colorParams: { value: Color.fromArray([255,0,0], 0) }  }))
-            .apply(StateTransforms.Representation.OverpaintStructureRepresentation3DFromScript, {
+        const chainList = labelAsymIds.join(' ');
+        selected.forEach(async (representation) => {
+            const update = this.plugin.build().to(representation);
+            update.apply(StateTransforms.Representation.OverpaintStructureRepresentation3DFromScript, {
                 layers: [
                     {
                         script:  Script(
-                            `(sel.atom.res (in-range atom.resno 10 100))`,
+                            `(sel.atom.atom-groups :chain-test (set.has (set ${chainList}) atom.label_asym_id))`,
                             'mol-script'
                         ),
-                        color: ColorNames.red,
-                        clear: false
-
+                        color:  hexRgb !== false ? Color.fromHexString(hexRgb) : ColorNames.grey,
+                        clear: clear
                     }
                 ]
             });
-        const result = await update.commit();
-        console.log('Result:', result);
-
-        // await this.plugin.build().to(component!.cell!)
-        //     .apply(StateTransforms.Representation.OverpaintStructureRepresentation3DFromScript,
-        //         {
-        //             layers: [{
-        //                 script: query,
-        //                 color: Color.fromRgb(255, 0, 0),
-        //                 clear: false
-        //             }]
-        //         })
-        //     .commit();
+            await update.commit();
+        });
     }
 
     async loadWithUNITMPMembraneRepresentation(params: any) {