cycle20 преди 5 месеца
родител
ревизия
940244ee9d
променени са 1 файла, в които са добавени 5 реда и са изтрити 22 реда
  1. 5 22
      src/Tm3DStandaloneApp/tmdet-viewer/TmViewerStandalone.ts

+ 5 - 22
src/Tm3DStandaloneApp/tmdet-viewer/TmViewerStandalone.ts

@@ -25,18 +25,11 @@ import { Mat4 } from 'molstar/lib/commonjs/mol-math/linear-algebra';
 import { TrajectoryHierarchyPresetProvider } from 'molstar/lib/mol-plugin-state/builder/structure/hierarchy-preset';
 import { registerRegionDescriptorData } from '../../TmFv3DApp/UniTmpHelper';
 import { TmDetRcsbPreset } from '../TmTrajectoryHierarchyPreset';
-import { Expression } from 'molstar/lib/mol-script/language/expression';
 import { MolScriptBuilder } from 'molstar/lib/mol-script/language/builder';
 import { StateTransforms } from 'molstar/lib/mol-plugin-state/transforms';
 import { Color } from 'molstar/lib/mol-util/color';
 
-import { StructureElement, Structure, StructureSelection, QueryContext } from 'molstar/lib/mol-model/structure';
-import { OrderedSet } from 'molstar/lib/mol-data/int';
-import { setStructureOverpaint } from 'molstar/lib/mol-plugin-state/helpers/structure-overpaint';
 import { Script } from 'molstar/lib/mol-script/script';
-import { compile } from 'molstar/lib/mol-script/runtime/query/base';
-import { Overpaint } from 'molstar/lib/mol-theme/overpaint';
-import { createStructureRepresentationParams } from 'molstar/lib/mol-plugin-state/helpers/structure-representation-params';
 import { ColorNames } from 'molstar/lib/mol-util/color/names';
 
 export class TmViewerStandalone extends Viewer {
@@ -72,21 +65,6 @@ export class TmViewerStandalone extends Viewer {
         return super.loadStructureFromUrl(url, format, isBinary, config);
     }
 
-    async lociGetter(structure: Structure) {
-        // const structure = this.plugin.managers.structure.hierarchy.current.models[0].structures[0].cell;
-        // const unit = structure.obj!.data!.unitMap.get(0)
-        // structure.obj!.data.entityIndices
-        // StructureElement.Loci(structure.obj!.data, [{ unit: unit, indices: Array.from(unit.elements) }]);
-        // console.log(Structure.Loci());
-        let indices = OrderedSet.ofRange(10 as StructureElement.UnitIndex, 100  as StructureElement.UnitIndex);
-        // let indices = OrderedSet.ofSortedArray([ 15 as StructureElement.UnitIndex ]);
-        return StructureElement.Loci(structure, [
-            { unit: structure.unitMap.get(0), indices: indices },
-            { unit: structure.unitMap.get(1), indices: indices },
-            { unit: structure.unitMap.get(2), indices: indices }
-        ]);
-    }
-
     chainSelection(auth_asym_id: string) {
         return MolScriptBuilder.struct.generator.atomGroups({
             'chain-test': MolScriptBuilder.core.rel.eq([MolScriptBuilder.struct.atomProperty.macromolecular.auth_asym_id(), auth_asym_id])
@@ -108,6 +86,11 @@ export class TmViewerStandalone extends Viewer {
      * @param clear if true, it clears the overpaint color
      */
     protected overPaint(labelAsymIds: string[], hexRgb: string|false = false, clear: boolean = false) {
+        if (labelAsymIds.length == 0) {
+            console.warn('No specified chain(s) for overpaintings');
+            return;
+        }
+
         const state = this.plugin.state.data;
 
         const selected = state.selectQ(q => q.ofTransformer(StateTransforms.Representation.StructureRepresentation3D));