Merge pull request #589 from molstar/picking-granuality-v2

Volume.PickingGranuality custom property

src/cli/structure-info/volume.ts

@@ -38,7 +38,7 @@ function print(volume: Volume) {
 }
 
 async function doMesh(volume: Volume, filename: string) {
-    const mesh = await Task.create('', runtime => createVolumeIsosurfaceMesh({ runtime }, volume, Theme.createEmpty(), { isoValue: Volume.IsoValue.absolute(1.5), pickingGranularity: 'voxels' })).run();
+    const mesh = await Task.create('', runtime => createVolumeIsosurfaceMesh({ runtime }, volume, Theme.createEmpty(), { isoValue: Volume.IsoValue.absolute(1.5) })).run();
     console.log({ vc: mesh.vertexCount, tc: mesh.triangleCount });
 
     // Export the mesh in OBJ format.

src/mol-model/loci.ts

@@ -241,7 +241,9 @@ namespace Loci {
                 ? Structure.toStructureElementLoci(loci.structure)
                 : ShapeGroup.isLoci(loci)
                     ? Shape.Loci(loci.shape)
-                    : loci;
+                    : Volume.Cell.isLoci(loci)
+                        ? Volume.Loci(loci.volume)
+                        : loci;
         },
         'elementInstances': (loci: Loci) => {
             return StructureElement.Loci.is(loci)

src/mol-model/volume/volume.ts

@@ -219,4 +219,14 @@ export namespace Volume {
             return Sphere3D.expand(bs, bs, Mat4.getMaxScaleOnAxis(transform) * 10);
         }
     }
+
+    export type PickingGranularity = 'volume' | 'object' | 'voxel';
+    export const PickingGranularity = {
+        set(volume: Volume, granularity: PickingGranularity) {
+            volume._propertyData['__picking_granularity__'] = granularity;
+        },
+        get(volume: Volume): PickingGranularity {
+            return volume._propertyData['__picking_granularity__'] ?? 'voxel';
+        }
+    };
 }

src/mol-repr/volume/isosurface.ts

@@ -32,8 +32,7 @@ import { BaseGeometry } from '../../mol-geo/geometry/base';
 import { ValueCell } from '../../mol-util/value-cell';
 
 export const VolumeIsosurfaceParams = {
-    isoValue: Volume.IsoValueParam,
-    pickingGranularity: PD.Select<'voxels' | 'surfaces'>('voxels', [['voxels', 'Voxels'], ['surfaces', 'Surfaces']]),
+    isoValue: Volume.IsoValueParam
 };
 export type VolumeIsosurfaceParams = typeof VolumeIsosurfaceParams
 export type VolumeIsosurfaceProps = PD.Values<VolumeIsosurfaceParams>
@@ -67,8 +66,12 @@ function getLoci(volume: Volume, props: VolumeIsosurfaceProps) {
 
 function getIsosurfaceLoci(pickingId: PickingId, volume: Volume, props: VolumeIsosurfaceProps, id: number) {
     const { objectId, groupId } = pickingId;
+
     if (id === objectId) {
-        if (props.pickingGranularity === 'surfaces') {
+        const granularity = Volume.PickingGranularity.get(volume);
+        if (granularity === 'volume') {
+            return Volume.Loci(volume);
+        } else if (granularity === 'object') {
             return Volume.Isosurface.Loci(volume, props.isoValue);
         } else {
             return Volume.Cell.Loci(volume, Interval.ofSingleton(groupId as Volume.CellIndex));

src/mol-repr/volume/slice.ts

@@ -150,7 +150,14 @@ function getLoci(volume: Volume, props: PD.Values<SliceParams>) {
 function getSliceLoci(pickingId: PickingId, volume: Volume, props: PD.Values<SliceParams>, id: number) {
     const { objectId, groupId } = pickingId;
     if (id === objectId) {
-        return Volume.Cell.Loci(volume, Interval.ofSingleton(groupId as Volume.CellIndex));
+        const granularity = Volume.PickingGranularity.get(volume);
+        if (granularity === 'volume') {
+            return Volume.Loci(volume);
+        } if (granularity === 'object') {
+            return getLoci(volume, props);
+        } else {
+            return Volume.Cell.Loci(volume, Interval.ofSingleton(groupId as Volume.CellIndex));
+        }
     }
     return EmptyLoci;
 }