npm - molstar - Versions diffs - 2.3.5 → 2.3.9 - Mend

molstar 2.3.5 → 2.3.9

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Files changed (1658) hide show

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

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author David Sehnal <david.sehnal@gmail.com>
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -23,7 +23,7 @@ import { BaseGeometry } 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';
-import { getDistanceDataFromStructureSelections, getLabelDataFromStructureSelections, getOrientationDataFromStructureSelections, getAngleDataFromStructureSelections, getDihedralDataFromStructureSelections } from './helpers';
+import { getDistanceDataFromStructureSelections, getLabelDataFromStructureSelections, getOrientationDataFromStructureSelections, getAngleDataFromStructureSelections, getDihedralDataFromStructureSelections, getPlaneDataFromStructureSelections } from './helpers';
 import { LabelParams, LabelRepresentation } from '../../mol-repr/shape/loci/label';
 import { OrientationRepresentation, OrientationParams } from '../../mol-repr/shape/loci/orientation';
 import { AngleParams, AngleRepresentation } from '../../mol-repr/shape/loci/angle';
@@ -34,6 +34,7 @@ import { ObjectKeys } from '../../mol-util/type-helpers';
 import { Mesh } from '../../mol-geo/geometry/mesh/mesh';
 import { getBoxMesh } from './shape';
 import { Shape } from '../../mol-model/shape';
+import { PlaneParams, PlaneRepresentation } from '../../mol-repr/shape/loci/plane';
 export { StructureRepresentation3D };
 export { ExplodeStructureRepresentation3D };
 export { SpinStructureRepresentation3D };
@@ -203,7 +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;
@@ -216,7 +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;
     }
@@ -241,7 +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;
@@ -254,7 +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;
     }
@@ -280,7 +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;
@@ -294,7 +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;
     }
@@ -309,7 +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,
@@ -330,7 +331,7 @@ var OverpaintStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn(
             initialState: { overpaint: Overpaint.Empty },
             info: structure,
             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;
@@ -346,7 +347,7 @@ var OverpaintStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn(
             return StateTransformer.UpdateResult.Unchanged;
         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;
     }
 });
@@ -360,7 +361,7 @@ 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,
@@ -382,7 +383,7 @@ var OverpaintStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn(
             initialState: { overpaint: Overpaint.Empty },
             info: structure,
             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;
@@ -398,7 +399,7 @@ var OverpaintStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn(
             return StateTransformer.UpdateResult.Unchanged;
         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;
     }
 });
@@ -411,7 +412,7 @@ 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,
@@ -431,7 +432,7 @@ var TransparencyStructureRepresentation3DFromScript = PluginStateTransform.Built
             initialState: { transparency: Transparency.Empty },
             info: structure,
             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;
@@ -446,7 +447,7 @@ var TransparencyStructureRepresentation3DFromScript = PluginStateTransform.Built
             return StateTransformer.UpdateResult.Unchanged;
         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;
     }
 });
@@ -459,7 +460,7 @@ 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,
@@ -480,7 +481,7 @@ var TransparencyStructureRepresentation3DFromBundle = PluginStateTransform.Built
             initialState: { transparency: Transparency.Empty },
             info: structure,
             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;
@@ -495,7 +496,7 @@ var TransparencyStructureRepresentation3DFromBundle = PluginStateTransform.Built
             return StateTransformer.UpdateResult.Unchanged;
         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;
     }
 });
@@ -508,7 +509,7 @@ 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 */,
@@ -528,7 +529,7 @@ 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;
@@ -543,7 +544,7 @@ 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;
     }
 });
@@ -556,7 +557,7 @@ 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 */,
@@ -577,7 +578,7 @@ 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;
@@ -592,7 +593,7 @@ 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;
     }
 });
@@ -1127,4 +1128,55 @@ var StructureSelectionsOrientation3D = PluginStateTransform.BuiltIn({
         }); });
     },
 });
+export { StructureSelectionsPlane3D };
+var StructureSelectionsPlane3D = PluginStateTransform.BuiltIn({
+    name: 'structure-selections-plane-3d',
+    display: '3D Plane',
+    from: SO.Molecule.Structure.Selections,
+    to: SO.Shape.Representation3D,
+    params: function () { return (__assign({}, PlaneParams)); }
+})({
+    canAutoUpdate: function (_a) {
+        var oldParams = _a.oldParams, newParams = _a.newParams;
+        return true;
+    },
+    apply: function (_a, plugin) {
+        var _this = this;
+        var a = _a.a, params = _a.params;
+        return Task.create('Structure Plane', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
+            var data, repr;
+            var _a;
+            return __generator(this, function (_b) {
+                switch (_b.label) {
+                    case 0:
+                        data = getPlaneDataFromStructureSelections(a.data);
+                        repr = PlaneRepresentation(__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return PlaneParams; });
+                        return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
+                    case 1:
+                        _b.sent();
+                        return [2 /*return*/, new SO.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Plane" })];
+                }
+            });
+        }); });
+    },
+    update: function (_a, plugin) {
+        var _this = this;
+        var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
+        return Task.create('Structure Plane', function (ctx) { return __awaiter(_this, void 0, void 0, function () {
+            var props, data;
+            return __generator(this, function (_a) {
+                switch (_a.label) {
+                    case 0:
+                        props = __assign(__assign({}, b.data.repr.props), newParams);
+                        data = getPlaneDataFromStructureSelections(a.data);
+                        return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
+                    case 1:
+                        _a.sent();
+                        b.data.sourceData = data;
+                        return [2 /*return*/, StateTransformer.UpdateResult.Updated];
+                }
+            });
+        }); });
+    },
+});
 //# sourceMappingURL=representation.js.map

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)];
                 }
             });