npm - molstar - Versions diffs - 2.3.6 → 2.4.0 - Mend

molstar 2.3.6 → 2.4.0

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Files changed (1610) hide show

package/lib/mol-plugin-state/transforms/representation.js CHANGED Viewed

@@ -19,7 +19,7 @@ import { unwindStructureAssembly, explodeStructure, spinStructure, SpinStructure
 import { Color } from '../../mol-util/color';
 import { Overpaint } from '../../mol-theme/overpaint';
 import { Transparency } from '../../mol-theme/transparency';
-import { BaseGeometry } from '../../mol-geo/geometry/base';
+import { BaseGeometry, hasColorSmoothingProp } from '../../mol-geo/geometry/base';
 import { Script } from '../../mol-script/script';
 import { UnitcellParams, UnitcellRepresentation, getUnitcellData } from '../../mol-repr/shape/model/unitcell';
 import { DistanceParams, DistanceRepresentation } from '../../mol-repr/shape/loci/distance';
@@ -204,7 +204,7 @@ var UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
             initialState: { unitTransforms: new StructureUnitTransforms(structure) },
             info: structure,
             repr: a.data.repr
-        }, { label: "Unwind T = " + params.t.toFixed(2) });
+        }, { label: "Unwind T = ".concat(params.t.toFixed(2)) });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
@@ -217,7 +217,7 @@ var UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
             return StateTransformer.UpdateResult.Unchanged;
         var unitTransforms = b.data.state.unitTransforms;
         unwindStructureAssembly(structure, unitTransforms, newParams.t);
-        b.label = "Unwind T = " + newParams.t.toFixed(2);
+        b.label = "Unwind T = ".concat(newParams.t.toFixed(2));
         b.data.repr = a.data.repr;
         return StateTransformer.UpdateResult.Updated;
     }
@@ -242,7 +242,7 @@ var ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
             initialState: { unitTransforms: new StructureUnitTransforms(structure) },
             info: structure,
             repr: a.data.repr
-        }, { label: "Explode T = " + params.t.toFixed(2) });
+        }, { label: "Explode T = ".concat(params.t.toFixed(2)) });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
@@ -255,7 +255,7 @@ var ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
             return StateTransformer.UpdateResult.Unchanged;
         var unitTransforms = b.data.state.unitTransforms;
         explodeStructure(structure, unitTransforms, newParams.t, structure.root.boundary.sphere);
-        b.label = "Explode T = " + newParams.t.toFixed(2);
+        b.label = "Explode T = ".concat(newParams.t.toFixed(2));
         b.data.repr = a.data.repr;
         return StateTransformer.UpdateResult.Updated;
     }
@@ -281,7 +281,7 @@ var SpinStructureRepresentation3D = PluginStateTransform.BuiltIn({
             initialState: { unitTransforms: new StructureUnitTransforms(structure) },
             info: structure,
             repr: a.data.repr
-        }, { label: "Spin T = " + params.t.toFixed(2) });
+        }, { label: "Spin T = ".concat(params.t.toFixed(2)) });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
@@ -295,7 +295,7 @@ var SpinStructureRepresentation3D = PluginStateTransform.BuiltIn({
         var unitTransforms = b.data.state.unitTransforms;
         var _b = getSpinStructureAxisAndOrigin(structure.root, newParams), axis = _b.axis, origin = _b.origin;
         spinStructure(structure, unitTransforms, newParams.t, axis, origin);
-        b.label = "Spin T = " + newParams.t.toFixed(2);
+        b.label = "Spin T = ".concat(newParams.t.toFixed(2));
         b.data.repr = a.data.repr;
         return StateTransformer.UpdateResult.Updated;
     }
@@ -310,7 +310,7 @@ var OverpaintStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn(
             script: PD.Script(Script('(sel.atom.all)', 'mol-script')),
             color: PD.Color(ColorNames.blueviolet),
             clear: PD.Boolean(false)
-        }, function (e) { return "" + (e.clear ? 'Clear' : Color.toRgbString(e.color)); }, {
+        }, function (e) { return "".concat(e.clear ? 'Clear' : Color.toRgbString(e.color)); }, {
             defaultValue: [{
                     script: Script('(sel.atom.all)', 'mol-script'),
                     color: ColorNames.blueviolet,
@@ -325,29 +325,35 @@ var OverpaintStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn(
     apply: function (_a) {
         var a = _a.a, params = _a.params;
         var structure = a.data.sourceData;
+        var geometryVersion = a.data.repr.geometryVersion;
         var overpaint = Overpaint.ofScript(params.layers, structure);
         return new SO.Molecule.Structure.Representation3DState({
             state: { overpaint: overpaint },
             initialState: { overpaint: Overpaint.Empty },
-            info: structure,
+            info: { structure: structure, geometryVersion: geometryVersion },
             repr: a.data.repr
-        }, { label: "Overpaint (" + overpaint.layers.length + " Layers)" });
+        }, { label: "Overpaint (".concat(overpaint.layers.length, " Layers)") });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
-        var oldStructure = b.data.info;
+        var info = b.data.info;
         var newStructure = a.data.sourceData;
-        if (newStructure !== oldStructure)
+        if (newStructure !== info.structure)
             return StateTransformer.UpdateResult.Recreate;
         if (a.data.repr !== b.data.repr)
             return StateTransformer.UpdateResult.Recreate;
+        var newGeometryVersion = a.data.repr.geometryVersion;
+        // smoothing needs to be re-calculated when geometry changes
+        if (newGeometryVersion !== info.geometryVersion && hasColorSmoothingProp(a.data.repr.props))
+            return StateTransformer.UpdateResult.Unchanged;
         var oldOverpaint = b.data.state.overpaint;
         var newOverpaint = Overpaint.ofScript(newParams.layers, newStructure);
         if (Overpaint.areEqual(oldOverpaint, newOverpaint))
             return StateTransformer.UpdateResult.Unchanged;
+        info.geometryVersion = newGeometryVersion;
         b.data.state.overpaint = newOverpaint;
         b.data.repr = a.data.repr;
-        b.label = "Overpaint (" + newOverpaint.layers.length + " Layers)";
+        b.label = "Overpaint (".concat(newOverpaint.layers.length, " Layers)");
         return StateTransformer.UpdateResult.Updated;
     }
 });
@@ -361,7 +367,7 @@ var OverpaintStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn(
             bundle: PD.Value(StructureElement.Bundle.Empty),
             color: PD.Color(ColorNames.blueviolet),
             clear: PD.Boolean(false)
-        }, function (e) { return "" + (e.clear ? 'Clear' : Color.toRgbString(e.color)); }, {
+        }, function (e) { return "".concat(e.clear ? 'Clear' : Color.toRgbString(e.color)); }, {
             defaultValue: [{
                     bundle: StructureElement.Bundle.Empty,
                     color: ColorNames.blueviolet,
@@ -377,29 +383,35 @@ var OverpaintStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn(
     apply: function (_a) {
         var a = _a.a, params = _a.params;
         var structure = a.data.sourceData;
+        var geometryVersion = a.data.repr.geometryVersion;
         var overpaint = Overpaint.ofBundle(params.layers, structure);
         return new SO.Molecule.Structure.Representation3DState({
             state: { overpaint: overpaint },
             initialState: { overpaint: Overpaint.Empty },
-            info: structure,
+            info: { structure: structure, geometryVersion: geometryVersion },
             repr: a.data.repr
-        }, { label: "Overpaint (" + overpaint.layers.length + " Layers)" });
+        }, { label: "Overpaint (".concat(overpaint.layers.length, " Layers)") });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
-        var oldStructure = b.data.info;
+        var info = b.data.info;
         var newStructure = a.data.sourceData;
-        if (newStructure !== oldStructure)
+        if (newStructure !== info.structure)
             return StateTransformer.UpdateResult.Recreate;
         if (a.data.repr !== b.data.repr)
             return StateTransformer.UpdateResult.Recreate;
+        var newGeometryVersion = a.data.repr.geometryVersion;
+        // smoothing needs to be re-calculated when geometry changes
+        if (newGeometryVersion !== info.geometryVersion && hasColorSmoothingProp(a.data.repr.props))
+            return StateTransformer.UpdateResult.Unchanged;
         var oldOverpaint = b.data.state.overpaint;
         var newOverpaint = Overpaint.ofBundle(newParams.layers, newStructure);
         if (Overpaint.areEqual(oldOverpaint, newOverpaint))
             return StateTransformer.UpdateResult.Unchanged;
+        info.geometryVersion = newGeometryVersion;
         b.data.state.overpaint = newOverpaint;
         b.data.repr = a.data.repr;
-        b.label = "Overpaint (" + newOverpaint.layers.length + " Layers)";
+        b.label = "Overpaint (".concat(newOverpaint.layers.length, " Layers)");
         return StateTransformer.UpdateResult.Updated;
     }
 });
@@ -412,7 +424,7 @@ var TransparencyStructureRepresentation3DFromScript = PluginStateTransform.Built
         layers: PD.ObjectList({
             script: PD.Script(Script('(sel.atom.all)', 'mol-script')),
             value: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }, { label: 'Transparency' }),
-        }, function (e) { return "Transparency (" + e.value + ")"; }, {
+        }, function (e) { return "Transparency (".concat(e.value, ")"); }, {
             defaultValue: [{
                     script: Script('(sel.atom.all)', 'mol-script'),
                     value: 0.5,
@@ -426,28 +438,35 @@ var TransparencyStructureRepresentation3DFromScript = PluginStateTransform.Built
     apply: function (_a) {
         var a = _a.a, params = _a.params;
         var structure = a.data.sourceData;
+        var geometryVersion = a.data.repr.geometryVersion;
         var transparency = Transparency.ofScript(params.layers, structure);
         return new SO.Molecule.Structure.Representation3DState({
             state: { transparency: transparency },
             initialState: { transparency: Transparency.Empty },
-            info: structure,
+            info: { structure: structure, geometryVersion: geometryVersion },
             repr: a.data.repr
-        }, { label: "Transparency (" + transparency.layers.length + " Layers)" });
+        }, { label: "Transparency (".concat(transparency.layers.length, " Layers)") });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
-        var structure = b.data.info;
-        if (a.data.sourceData !== structure)
+        var info = b.data.info;
+        var newStructure = a.data.sourceData;
+        if (newStructure !== info.structure)
             return StateTransformer.UpdateResult.Recreate;
         if (a.data.repr !== b.data.repr)
             return StateTransformer.UpdateResult.Recreate;
+        var newGeometryVersion = a.data.repr.geometryVersion;
+        // smoothing needs to be re-calculated when geometry changes
+        if (newGeometryVersion !== info.geometryVersion && hasColorSmoothingProp(a.data.repr.props))
+            return StateTransformer.UpdateResult.Unchanged;
         var oldTransparency = b.data.state.transparency;
-        var newTransparency = Transparency.ofScript(newParams.layers, structure);
+        var newTransparency = Transparency.ofScript(newParams.layers, newStructure);
         if (Transparency.areEqual(oldTransparency, newTransparency))
             return StateTransformer.UpdateResult.Unchanged;
+        info.geometryVersion = newGeometryVersion;
         b.data.state.transparency = newTransparency;
         b.data.repr = a.data.repr;
-        b.label = "Transparency (" + newTransparency.layers.length + " Layers)";
+        b.label = "Transparency (".concat(newTransparency.layers.length, " Layers)");
         return StateTransformer.UpdateResult.Updated;
     }
 });
@@ -460,7 +479,7 @@ var TransparencyStructureRepresentation3DFromBundle = PluginStateTransform.Built
         layers: PD.ObjectList({
             bundle: PD.Value(StructureElement.Bundle.Empty),
             value: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }, { label: 'Transparency' }),
-        }, function (e) { return "Transparency (" + e.value + ")"; }, {
+        }, function (e) { return "Transparency (".concat(e.value, ")"); }, {
             defaultValue: [{
                     bundle: StructureElement.Bundle.Empty,
                     value: 0.5,
@@ -475,28 +494,35 @@ var TransparencyStructureRepresentation3DFromBundle = PluginStateTransform.Built
     apply: function (_a) {
         var a = _a.a, params = _a.params;
         var structure = a.data.sourceData;
+        var geometryVersion = a.data.repr.geometryVersion;
         var transparency = Transparency.ofBundle(params.layers, structure);
         return new SO.Molecule.Structure.Representation3DState({
             state: { transparency: transparency },
             initialState: { transparency: Transparency.Empty },
-            info: structure,
+            info: { structure: structure, geometryVersion: geometryVersion },
             repr: a.data.repr
-        }, { label: "Transparency (" + transparency.layers.length + " Layers)" });
+        }, { label: "Transparency (".concat(transparency.layers.length, " Layers)") });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
-        var structure = b.data.info;
-        if (a.data.sourceData !== structure)
+        var info = b.data.info;
+        var newStructure = a.data.sourceData;
+        if (newStructure !== info.structure)
             return StateTransformer.UpdateResult.Recreate;
         if (a.data.repr !== b.data.repr)
             return StateTransformer.UpdateResult.Recreate;
+        var newGeometryVersion = a.data.repr.geometryVersion;
+        // smoothing needs to be re-calculated when geometry changes
+        if (newGeometryVersion !== info.geometryVersion && hasColorSmoothingProp(a.data.repr.props))
+            return StateTransformer.UpdateResult.Unchanged;
         var oldTransparency = b.data.state.transparency;
-        var newTransparency = Transparency.ofBundle(newParams.layers, structure);
+        var newTransparency = Transparency.ofBundle(newParams.layers, newStructure);
         if (Transparency.areEqual(oldTransparency, newTransparency))
             return StateTransformer.UpdateResult.Unchanged;
+        info.geometryVersion = newGeometryVersion;
         b.data.state.transparency = newTransparency;
         b.data.repr = a.data.repr;
-        b.label = "Transparency (" + newTransparency.layers.length + " Layers)";
+        b.label = "Transparency (".concat(newTransparency.layers.length, " Layers)");
         return StateTransformer.UpdateResult.Updated;
     }
 });
@@ -509,7 +535,7 @@ var ClippingStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn({
         layers: PD.ObjectList({
             script: PD.Script(Script('(sel.atom.all)', 'mol-script')),
             groups: PD.Converted(function (g) { return Clipping.Groups.toNames(g); }, function (n) { return Clipping.Groups.fromNames(n); }, PD.MultiSelect(ObjectKeys(Clipping.Groups.Names), PD.objectToOptions(Clipping.Groups.Names))),
-        }, function (e) { return Clipping.Groups.toNames(e.groups).length + " group(s)"; }, {
+        }, function (e) { return "".concat(Clipping.Groups.toNames(e.groups).length, " group(s)"); }, {
             defaultValue: [{
                     script: Script('(sel.atom.all)', 'mol-script'),
                     groups: 0 /* None */,
@@ -529,7 +555,7 @@ var ClippingStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn({
             initialState: { clipping: Clipping.Empty },
             info: structure,
             repr: a.data.repr
-        }, { label: "Clipping (" + clipping.layers.length + " Layers)" });
+        }, { label: "Clipping (".concat(clipping.layers.length, " Layers)") });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
@@ -544,7 +570,7 @@ var ClippingStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn({
             return StateTransformer.UpdateResult.Unchanged;
         b.data.state.clipping = newClipping;
         b.data.repr = a.data.repr;
-        b.label = "Clipping (" + newClipping.layers.length + " Layers)";
+        b.label = "Clipping (".concat(newClipping.layers.length, " Layers)");
         return StateTransformer.UpdateResult.Updated;
     }
 });
@@ -557,7 +583,7 @@ var ClippingStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn({
         layers: PD.ObjectList({
             bundle: PD.Value(StructureElement.Bundle.Empty),
             groups: PD.Converted(function (g) { return Clipping.Groups.toNames(g); }, function (n) { return Clipping.Groups.fromNames(n); }, PD.MultiSelect(ObjectKeys(Clipping.Groups.Names), PD.objectToOptions(Clipping.Groups.Names))),
-        }, function (e) { return Clipping.Groups.toNames(e.groups).length + " group(s)"; }, {
+        }, function (e) { return "".concat(Clipping.Groups.toNames(e.groups).length, " group(s)"); }, {
             defaultValue: [{
                     bundle: StructureElement.Bundle.Empty,
                     groups: 0 /* None */,
@@ -578,7 +604,7 @@ var ClippingStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn({
             initialState: { clipping: Clipping.Empty },
             info: structure,
             repr: a.data.repr
-        }, { label: "Clipping (" + clipping.layers.length + " Layers)" });
+        }, { label: "Clipping (".concat(clipping.layers.length, " Layers)") });
     },
     update: function (_a) {
         var a = _a.a, b = _a.b, newParams = _a.newParams, oldParams = _a.oldParams;
@@ -593,7 +619,7 @@ var ClippingStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn({
             return StateTransformer.UpdateResult.Unchanged;
         b.data.state.clipping = newClipping;
         b.data.repr = a.data.repr;
-        b.label = "Clipping (" + newClipping.layers.length + " Layers)";
+        b.label = "Clipping (".concat(newClipping.layers.length, " Layers)");
         return StateTransformer.UpdateResult.Updated;
     }
 });

package/lib/mol-plugin-state/transforms/representation.js.map CHANGED Viewed

	@@ -1 +1 @@
1	- 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package/lib/mol-plugin-state/transforms/volume.js CHANGED Viewed

@@ -45,7 +45,7 @@ var VolumeFromCcp4 = PluginStateTransform.BuiltIn({
                     case 0: return [4 /*yield*/, volumeFromCcp4(a.data, __assign(__assign({}, params), { label: a.data.name || a.label })).runInContext(ctx)];
                     case 1:
                         volume = _a.sent();
-                        props = { label: volume.label || 'Volume', description: "Volume " + a.data.header.NX + "\u00D7" + a.data.header.NX + "\u00D7" + a.data.header.NX };
+                        props = { label: volume.label || 'Volume', description: "Volume ".concat(a.data.header.NX, "\u00D7").concat(a.data.header.NX, "\u00D7").concat(a.data.header.NX) };
                         return [2 /*return*/, new SO.Volume.Data(volume, props)];
                 }
             });
@@ -78,7 +78,7 @@ var VolumeFromDsn6 = PluginStateTransform.BuiltIn({
                     case 0: return [4 /*yield*/, volumeFromDsn6(a.data, __assign(__assign({}, params), { label: a.data.name || a.label })).runInContext(ctx)];
                     case 1:
                         volume = _a.sent();
-                        props = { label: volume.label || 'Volume', description: "Volume " + a.data.header.xExtent + "\u00D7" + a.data.header.yExtent + "\u00D7" + a.data.header.zExtent };
+                        props = { label: volume.label || 'Volume', description: "Volume ".concat(a.data.header.xExtent, "\u00D7").concat(a.data.header.yExtent, "\u00D7").concat(a.data.header.zExtent) };
                         return [2 /*return*/, new SO.Volume.Data(volume, props)];
                 }
             });
@@ -95,7 +95,7 @@ var VolumeFromCube = PluginStateTransform.BuiltIn({
     from: SO.Format.Cube,
     to: SO.Volume.Data,
     params: function (a) {
-        var dataIndex = a ? PD.Select(0, a.data.header.dataSetIds.map(function (id, i) { return [i, "" + id]; })) : PD.Numeric(0);
+        var dataIndex = a ? PD.Select(0, a.data.header.dataSetIds.map(function (id, i) { return [i, "".concat(id)]; })) : PD.Numeric(0);
         return {
             dataIndex: dataIndex,
             entryId: PD.Text(''),
@@ -112,7 +112,7 @@ var VolumeFromCube = PluginStateTransform.BuiltIn({
                     case 0: return [4 /*yield*/, volumeFromCube(a.data, __assign(__assign({}, params), { label: a.data.name || a.label })).runInContext(ctx)];
                     case 1:
                         volume = _a.sent();
-                        props = { label: volume.label || 'Volume', description: "Volume " + a.data.header.dim[0] + "\u00D7" + a.data.header.dim[1] + "\u00D7" + a.data.header.dim[2] };
+                        props = { label: volume.label || 'Volume', description: "Volume ".concat(a.data.header.dim[0], "\u00D7").concat(a.data.header.dim[1], "\u00D7").concat(a.data.header.dim[2]) };
                         return [2 /*return*/, new SO.Volume.Data(volume, props)];
                 }
             });
@@ -139,7 +139,7 @@ var VolumeFromDx = PluginStateTransform.BuiltIn({
                     case 0: return [4 /*yield*/, volumeFromDx(a.data, { label: a.data.name || a.label }).runInContext(ctx)];
                     case 1:
                         volume = _a.sent();
-                        props = { label: volume.label || 'Volume', description: "Volume " + a.data.header.dim[0] + "\u00D7" + a.data.header.dim[1] + "\u00D7" + a.data.header.dim[2] };
+                        props = { label: volume.label || 'Volume', description: "Volume ".concat(a.data.header.dim[0], "\u00D7").concat(a.data.header.dim[1], "\u00D7").concat(a.data.header.dim[2]) };
                         return [2 /*return*/, new SO.Volume.Data(volume, props)];
                 }
             });
@@ -182,13 +182,13 @@ var VolumeFromDensityServerCif = PluginStateTransform.BuiltIn({
                         header = params.blockHeader || a.data.blocks[1].header;
                         block = a.data.blocks.find(function (b) { return b.header === header; });
                         if (!block)
-                            throw new Error("Data block '" + [header] + "' not found.");
+                            throw new Error("Data block '".concat([header], "' not found."));
                         densityServerCif = CIF.schema.densityServer(block);
                         return [4 /*yield*/, volumeFromDensityServerData(densityServerCif, { entryId: params.entryId }).runInContext(ctx)];
                     case 1:
                         volume = _c.sent();
                         _a = volume.grid.cells.space.dimensions, x = _a[0], y = _a[1], z = _a[2];
-                        props = { label: (_b = params.entryId) !== null && _b !== void 0 ? _b : densityServerCif.volume_data_3d_info.name.value(0), description: "Volume " + x + "\u00D7" + y + "\u00D7" + z };
+                        props = { label: (_b = params.entryId) !== null && _b !== void 0 ? _b : densityServerCif.volume_data_3d_info.name.value(0), description: "Volume ".concat(x, "\u00D7").concat(y, "\u00D7").concat(z) };
                         return [2 /*return*/, new SO.Volume.Data(volume, props)];
                 }
             });