added model.properties.structAsymMap

src/mol-model-formats/structure/basic/properties.ts

@@ -6,7 +6,7 @@
  */
 
 import { Model } from '../../../mol-model/structure/model/model';
-import { ChemicalComponent, MissingResidue } from '../../../mol-model/structure/model/properties/common';
+import { ChemicalComponent, MissingResidue, StructAsym } from '../../../mol-model/structure/model/properties/common';
 import { getMoleculeType, MoleculeType, getDefaultChemicalComponent } from '../../../mol-model/structure/model/types';
 import { SaccharideComponentMap, SaccharideComponent, SaccharidesSnfgMap, SaccharideCompIdMap, UnknownSaccharideComponent } from '../../../mol-model/structure/structure/carbohydrates/constants';
 import { memoize1 } from '../../../mol-util/memoize';
@@ -107,10 +107,43 @@ const getUniqueComponentNames = memoize1((data: BasicData) => {
     return uniqueNames
 })
 
+
+function getStructAsymMap(data: BasicData): Model['properties']['structAsymMap'] {
+    const map = new Map<string, StructAsym>();
+
+    const { label_asym_id, auth_asym_id, label_entity_id } = data.atom_site
+    for (let i = 0, il = label_asym_id.rowCount; i < il; ++i) {
+        const id = label_asym_id.value(i)
+        if (!map.has(id)) {
+            map.set(id, {
+                id,
+                auth_id: auth_asym_id.value(i),
+                entity_id: label_entity_id.value(i)
+            })
+        }
+    }
+
+    if (data.struct_asym._rowCount > 0) {
+        const { id, entity_id } = data.struct_asym
+        for (let i = 0, il = id.rowCount; i < il; ++i) {
+            const _id = id.value(i)
+            if (!map.has(_id)) {
+                map.set(_id, {
+                    id: _id,
+                    auth_id: '',
+                    entity_id: entity_id.value(i)
+                })
+            }
+        }
+    }
+    return map
+}
+
 export function getProperties(data: BasicData): Model['properties'] {
     return {
         missingResidues: getMissingResidues(data),
         chemicalComponentMap: getChemicalComponentMap(data),
-        saccharideComponentMap: getSaccharideComponentMap(data)
+        saccharideComponentMap: getSaccharideComponentMap(data),
+        structAsymMap: getStructAsymMap(data)
     }
 }

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

@@ -9,7 +9,7 @@ import UUID from '../../../mol-util/uuid';
 import StructureSequence from './properties/sequence';
 import { AtomicHierarchy, AtomicConformation, AtomicRanges } from './properties/atomic';
 import { CoarseHierarchy, CoarseConformation } from './properties/coarse';
-import { Entities, ChemicalComponentMap, MissingResidues } from './properties/common';
+import { Entities, ChemicalComponentMap, MissingResidues, StructAsymMap } from './properties/common';
 import { CustomProperties } from '../common/custom-property';
 import { SaccharideComponentMap } from '../structure/carbohydrates/constants';
 import { ModelFormat } from '../../../mol-model-formats/structure/format';
@@ -59,6 +59,8 @@ export interface Model extends Readonly<{
         readonly chemicalComponentMap: ChemicalComponentMap
         /** maps residue name to `SaccharideComponent` data */
         readonly saccharideComponentMap: SaccharideComponentMap
+        /** maps label_asym_id name to `StructAsym` data */
+        readonly structAsymMap: StructAsymMap
     },
 
     customProperties: CustomProperties,

src/mol-model/structure/model/properties/common.ts

@@ -29,4 +29,7 @@ export interface MissingResidues {
     has(model_num: number, asym_id: string, seq_id: number): boolean
     get(model_num: number, asym_id: string, seq_id: number): MissingResidue | undefined
     readonly size: number
-}
+}
+
+export type StructAsym = Table.Row<Pick<mmCIF_Schema['struct_asym'], 'id' | 'entity_id'> & { auth_id: Column.Schema.Str }>
+export type StructAsymMap = ReadonlyMap<string, StructAsym>

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

@@ -15,7 +15,6 @@ import { PluginContext } from '../../context';
 import { Assembly, Symmetry } from '../../../mol-model/structure/model/properties/symmetry';
 import { PluginStateObject as SO } from '../objects';
 import { ModelSymmetry } from '../../../mol-model-formats/structure/property/symmetry';
-import { MmcifFormat } from '../../../mol-model-formats/structure/mmcif';
 
 export namespace ModelStructureRepresentation {
     export function getParams(model?: Model, defaultValue?: 'deposited' | 'assembly' | 'symmetry' | 'symmetry-mates' | 'symmetry-assembly') {
@@ -33,13 +32,11 @@ export namespace ModelStructureRepresentation {
         }
 
         const asymIdsOptions: [string, string][] = []
-        if (model && MmcifFormat.is(model?.sourceData)) {
-            // TODO make generally available for models, also include auth_asym_id
-            const { struct_asym } = model.sourceData.data.db
-            for (let i = 0, il = struct_asym._rowCount; i < il; ++i) {
-                const id = struct_asym.id.value(i)
-                asymIdsOptions.push([id, id])
-            }
+        if (model) {
+            model.properties.structAsymMap.forEach(v => {
+                const label = v.id === v.auth_id ? v.id : `${v.id} [auth ${v.auth_id}]`
+                asymIdsOptions.push([v.id, label])
+            })
         }
 
         const modes = {