handle incompatibility of StructureElement.Query and Structure

src/mol-model/structure/structure/element.ts

@@ -487,11 +487,14 @@ namespace StructureElement {
         ranges: SortedRanges<UnitIndex>
     }
     export interface Query {
+        /** Hash of the structure to which the query can be applied */
+        readonly hash: number
+        /** Query elements */
         readonly elements: ReadonlyArray<Readonly<QueryElement>>
     }
 
     export namespace Query {
-        export const Empty: Query = { elements: [] }
+        export const Empty: Query = { hash: -1, elements: [] }
 
         export function fromLoci(loci: StructureElement.Loci): Query {
             const _elements: {
@@ -566,7 +569,7 @@ namespace StructureElement {
                 elements.push({ groupedUnits, set: e.set, ranges: e.ranges })
             })
 
-            return { elements }
+            return { hash: (loci.structure.parent || loci.structure).hashCode, elements }
         }
 
         function getUnitsFromIds(unitIds: ArrayLike<number>, structure: Structure) {
@@ -579,6 +582,9 @@ namespace StructureElement {
         }
 
         export function toLoci(query: Query, parent: Structure): Loci {
+            if (query.hash !== -1 && query.hash !== (parent.parent || parent).hashCode) {
+                new Error('Query not compatible with given structure')
+            }
             const elements: Loci['elements'][0][] = []
             for (const e of query.elements) {
                 for (const g of e.groupedUnits) {
@@ -613,6 +619,9 @@ namespace StructureElement {
         }
 
         export function toStructure(query: Query, parent: Structure): Structure {
+            if (query.hash !== -1 && query.hash !== (parent.parent || parent).hashCode) {
+                new Error('Query not compatible with given structure')
+            }
             const units: Unit[] = []
             for (const e of query.elements) {
                 for (const g of e.groupedUnits) {

src/mol-plugin/state/transforms/model.ts

@@ -430,6 +430,11 @@ const LociStructureSelection = PluginStateTransform.BuiltIn({
     }
 })({
     apply({ a, params, cache }) {
+        if (params.query.hash !== a.data.hashCode) {
+            // Query not compatible with given structure, set to empty query
+            params.query = StructureElement.Query.Empty
+        }
+
         (cache as { source: Structure }).source = a.data;
 
         const s = StructureElement.Query.toStructure(params.query, a.data);
@@ -439,7 +444,14 @@ const LociStructureSelection = PluginStateTransform.BuiltIn({
         return new SO.Molecule.Structure(s, props);
     },
     update: ({ a, b, oldParams, newParams, cache }) => {
-        if (!StructureElement.Query.areEqual(oldParams.query, newParams.query)) return StateTransformer.UpdateResult.Recreate;
+        if (!StructureElement.Query.areEqual(oldParams.query, newParams.query)) {
+            return StateTransformer.UpdateResult.Recreate;
+        }
+
+        if (newParams.query.hash !== a.data.hashCode) {
+            // Query not compatible with given structure, set to empty query
+            newParams.query = StructureElement.Query.Empty
+        }
 
         if ((cache as { source: Structure }).source === a.data) {
             return StateTransformer.UpdateResult.Unchanged;