makes params optional

src/mol-model/structure/model/properties/utils/secondary-structure.ts

@@ -120,7 +120,10 @@ export type SecondaryStructureComputationParams = typeof SecondaryStructureCompu
 
 export function computeSecondaryStructure(hierarchy: AtomicHierarchy,
     conformation: AtomicConformation,
-    params: PD.Values<SecondaryStructureComputationParams>): SecondaryStructure {
+    params?: PD.Values<SecondaryStructureComputationParams>): SecondaryStructure {
+    // TODO is this the best way? is should be possible to provide partial 'overrides' of default values
+    if (!params) params = PD.getDefaultValues(SecondaryStructureComputationParams);
+
     // TODO use Zhang-Skolnik for CA alpha only parts or for coarse parts with per-residue elements
     const { lookup3d, proteinResidues } = calcAtomicTraceLookup3D(hierarchy, conformation)
     const backboneIndices = calcBackboneAtomIndices(hierarchy, proteinResidues)

src/tests/browser/render-structure.ts

@@ -12,8 +12,7 @@ import { ColorTheme } from 'mol-theme/color';
 import { SizeTheme } from 'mol-theme/size';
 import { CartoonRepresentationProvider } from 'mol-repr/structure/representation/cartoon';
 import { trajectoryFromMmCIF } from 'mol-model-formats/structure/mmcif';
-import { computeSecondaryStructure, SecondaryStructureComputationParams } from 'mol-model/structure/model/properties/utils/secondary-structure';
-import { ParamDefinition as PD } from 'mol-util/param-definition'
+import { computeSecondaryStructure } from 'mol-model/structure/model/properties/utils/secondary-structure';
 
 const parent = document.getElementById('app')!
 parent.style.width = '100%'
@@ -67,8 +66,7 @@ async function init() {
     const models = await getModels(cif)
     console.time('computeModelDSSP')
     const secondaryStructure = computeSecondaryStructure(models[0].atomicHierarchy,
-        models[0].atomicConformation,
-        PD.getDefaultValues(SecondaryStructureComputationParams) /*{ oldDefinition: false, oldOrdering: false }*/)
+        models[0].atomicConformation)
     console.timeEnd('computeModelDSSP');
     (models[0].properties as any).secondaryStructure = secondaryStructure
     const structure = await getStructure(models[0])