isosurface tweaks

src/mol-model/volume/data.ts

@@ -65,6 +65,12 @@ namespace VolumeIsoValue {
     export function toRelative(value: VolumeIsoValue, stats: VolumeData['dataStats']): Relative {
         return value.kind === 'relative' ? value : { kind: 'relative', relativeValue: VolumeIsoValue.calcRelative(stats, value.absoluteValue) }
     }
+
+    export function toString(value: VolumeIsoValue) {
+        return value.kind === 'relative'
+            ? `${value.relativeValue} σ`
+            : `${value.absoluteValue}`
+    }
 }
 
 export { VolumeData, VolumeIsoValue }

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

@@ -16,7 +16,7 @@ import { BuiltInStructureRepresentationsName } from 'mol-repr/structure/registry
 import { Structure } from 'mol-model/structure';
 import { StructureParams } from 'mol-repr/structure/representation';
 import { ExplodeRepresentation3D } from 'mol-plugin/behavior/dynamic/representation';
-import { VolumeData } from 'mol-model/volume';
+import { VolumeData, VolumeIsoValue } from 'mol-model/volume';
 import { BuiltInVolumeRepresentationsName } from 'mol-repr/volume/registry';
 import { VolumeParams } from 'mol-repr/volume/representation';
 import { BuiltInColorThemeName, ColorTheme } from 'mol-theme/color';
@@ -174,6 +174,10 @@ export namespace VolumeRepresentation3DHelpers {
             sizeTheme: { name: type.defaultSizeTheme, params: sizeParams ? { ...sizeType.defaultValues, ...sizeParams } : sizeType.defaultValues }
         })
     }
+
+    export function getDescription(props: any) {
+        return props.isoValue && VolumeIsoValue.toString(props.isoValue)
+    }
 }
 export { VolumeRepresentation3D }
 type VolumeRepresentation3D = typeof VolumeRepresentation3D
@@ -235,9 +239,8 @@ const VolumeRepresentation3D = PluginStateTransform.BuiltIn({
             const repr = provider.factory({ webgl: plugin.canvas3d.webgl, ...plugin.volumeRepresentation.themeCtx }, provider.getParams)
             repr.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: a.data }, params))
             // TODO set initial state, repr.setState({})
-            // TODO include isoValue in the label where available
             await repr.createOrUpdate(props, a.data).runInContext(ctx);
-            return new SO.Volume.Representation3D(repr, { label: provider.label });
+            return new SO.Volume.Representation3D(repr, { label: provider.label, description: VolumeRepresentation3DHelpers.getDescription(props) });
         });
     },
     update({ a, b, oldParams, newParams }, plugin: PluginContext) {
@@ -246,6 +249,7 @@ const VolumeRepresentation3D = PluginStateTransform.BuiltIn({
             const props = { ...b.data.props, ...newParams.type.params }
             b.data.setTheme(createTheme(plugin.volumeRepresentation.themeCtx, { volume: a.data }, newParams))
             await b.data.createOrUpdate(props, a.data).runInContext(ctx);
+            b.description = VolumeRepresentation3DHelpers.getDescription(props)
             return Transformer.UpdateResult.Updated;
         });
     }

src/mol-repr/volume/isosurface.ts

@@ -148,7 +148,7 @@ export function getIsosurfaceParams(ctx: ThemeRegistryContext, volume: VolumeDat
             'relative': PD.Converted(
                 (v: VolumeIsoValue) => VolumeIsoValue.toRelative(v, stats).relativeValue,
                 (v: number) => VolumeIsoValue.relative(v),
-                PD.Numeric(2, { min: -10, max: 10, step: 0.001 })
+                PD.Numeric(2, { min: Math.floor((min - mean) / sigma), max: Math.ceil((max - mean) / sigma), step: Math.ceil((max - min) / sigma) / 100 })
             )
         },
         (v: VolumeIsoValue) => v.kind === 'absolute' ? 'absolute' : 'relative',