drugflow-molstar 0.3.39 → 0.3.41

package/build/drugflow-molstar-plugin-0.3.41.js.LICENSE.txt

@@ -0,0 +1,39 @@
+/**
+ * @license React
+ * react-dom.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */
+
+/**
+ * @license React
+ * react-jsx-runtime.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */
+
+/**
+ * @license React
+ * react.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */
+
+/**
+ * @license React
+ * scheduler.production.min.js
+ *
+ * Copyright (c) Facebook, Inc. and its affiliates.
+ *
+ * This source code is licensed under the MIT license found in the
+ * LICENSE file in the root directory of this source tree.
+ */

package/lib/contact.d.ts

@@ -0,0 +1,70 @@
+import { Loci } from 'molstar/lib/mol-model/loci';
+import { ParamDefinition as PD } from 'molstar/lib/mol-util/param-definition';
+import { Representation, RepresentationParamsGetter, RepresentationContext } from 'molstar/lib/mol-repr/representation';
+import { LabelOptions } from 'molstar/lib/mol-theme/label';
+export interface ContactData {
+    pairs: Loci.Bundle<2>[];
+}
+export declare const ContactParams: {
+    visuals: PD.MultiSelect<"text" | "cylinder">;
+    unitLabel: PD.Text<string>;
+    borderWidth: PD.Numeric;
+    customText: PD.Text<string>;
+    textColor: PD.Color;
+    textSize: PD.Numeric;
+    sizeFactor: PD.Numeric;
+    borderColor: PD.Color;
+    offsetX: PD.Numeric;
+    offsetY: PD.Numeric;
+    offsetZ: PD.Numeric;
+    background: PD.BooleanParam;
+    backgroundMargin: PD.Numeric;
+    backgroundColor: PD.Color;
+    backgroundOpacity: PD.Numeric;
+    tether: PD.BooleanParam;
+    tetherLength: PD.Numeric;
+    tetherBaseWidth: PD.Numeric;
+    attachment: PD.Select<"bottom-left" | "bottom-center" | "bottom-right" | "middle-left" | "middle-center" | "middle-right" | "top-left" | "top-center" | "top-right">;
+    fontFamily: PD.Select<import("molstar/lib/mol-geo/geometry/text/font-atlas").FontFamily>;
+    fontQuality: PD.Select<number>;
+    fontStyle: PD.Select<import("molstar/lib/mol-geo/geometry/text/font-atlas").FontStyle>;
+    fontVariant: PD.Select<import("molstar/lib/mol-geo/geometry/text/font-atlas").FontVariant>;
+    fontWeight: PD.Select<import("molstar/lib/mol-geo/geometry/text/font-atlas").FontWeight>;
+    alpha: PD.Numeric;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
+    material: PD.Group<PD.Normalize<{
+        metalness: number;
+        roughness: number;
+        bumpiness: number;
+    }>>;
+    clip: PD.Group<PD.Normalize<{
+        variant: import("molstar/lib/mol-util/clip").Clip.Variant;
+        objects: PD.Normalize<{
+            type: any;
+            invert: any;
+            position: any;
+            rotation: any;
+            scale: any;
+        }>[];
+    }>>;
+    instanceGranularity: PD.BooleanParam;
+    lineSizeAttenuation: PD.BooleanParam;
+    linesSize: PD.Numeric;
+    dashLength: PD.Numeric;
+    interactionType: PD.Text<string>;
+    cylinderColor: PD.Color;
+    sizeAspectRatio: PD.Numeric;
+    doubleSided: PD.BooleanParam;
+    ignoreLight: PD.BooleanParam;
+    xrayShaded: PD.BooleanParam;
+    transparentBackfaces: PD.Select<string>;
+    bumpFrequency: PD.Numeric;
+    bumpAmplitude: PD.Numeric;
+};
+export declare type ContactParams = typeof ContactParams;
+export declare type ContactProps = PD.Values<ContactParams>;
+export declare function contactLabel(pair: Loci.Bundle<2>, options?: Partial<LabelOptions & {
+    interactionType: string;
+}>): string;
+export declare type ContactRepresentation = Representation<ContactData, ContactParams>;
+export declare function ContactRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<ContactData, ContactParams>): ContactRepresentation;

package/lib/contact.js

@@ -0,0 +1,118 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.ContactRepresentation = exports.contactLabel = exports.ContactParams = void 0;
+var tslib_1 = require("tslib");
+// contact.ts
+var loci_1 = require("molstar/lib/mol-model/loci");
+var text_1 = require("molstar/lib/mol-geo/geometry/text/text");
+var param_definition_1 = require("molstar/lib/mol-util/param-definition");
+var names_1 = require("molstar/lib/mol-util/color/names");
+var representation_1 = require("molstar/lib/mol-repr/shape/representation");
+var representation_2 = require("molstar/lib/mol-repr/representation");
+var shape_1 = require("molstar/lib/mol-model/shape");
+var text_builder_1 = require("molstar/lib/mol-geo/geometry/text/text-builder");
+var linear_algebra_1 = require("molstar/lib/mol-math/linear-algebra");
+var marker_action_1 = require("molstar/lib/mol-util/marker-action");
+var label_1 = require("molstar/lib/mol-theme/label");
+var common_1 = require("molstar/lib/mol-repr/shape/loci/common");
+var geometry_1 = require("molstar/lib/mol-math/geometry");
+var cylinders_builder_1 = require("molstar/lib/mol-geo/geometry/cylinders/cylinders-builder");
+var cylinders_1 = require("molstar/lib/mol-geo/geometry/cylinders/cylinders");
+var label_2 = require("molstar/lib/mol-theme/label");
+var SharedParams = {
+    unitLabel: param_definition_1.ParamDefinition.Text('\u212B', { isEssential: true }),
+};
+var CylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, cylinders_1.Cylinders.Params), SharedParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(true), linesSize: param_definition_1.ParamDefinition.Numeric(0.075, { min: 0.01, max: 5, step: 0.01 }), dashLength: param_definition_1.ParamDefinition.Numeric(0.12, { min: 0.01, max: 0.2, step: 0.01 }), interactionType: param_definition_1.ParamDefinition.Text('', { isEssential: true }), cylinderColor: param_definition_1.ParamDefinition.Color(names_1.ColorNames.lightgreen, { isEssential: true }) });
+var TextParams = tslib_1.__assign(tslib_1.__assign({}, common_1.LociLabelTextParams), SharedParams);
+var ContactVisuals = {
+    cylinder: function (ctx, getParams) {
+        return (0, representation_1.ShapeRepresentation)(getCylindersShape, cylinders_1.Cylinders.Utils, {
+            modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerActions.Highlighting })); },
+        });
+    },
+    text: function (ctx, getParams) {
+        return (0, representation_1.ShapeRepresentation)(getTextShape, text_1.Text.Utils, {
+            modifyState: function (s) { return (tslib_1.__assign(tslib_1.__assign({}, s), { markerActions: marker_action_1.MarkerAction.None })); },
+        });
+    },
+};
+exports.ContactParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, CylinderParams), TextParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['cylinder', 'text'], param_definition_1.ParamDefinition.objectToOptions(ContactVisuals)) });
+//
+function contactLabel(pair, options) {
+    var _a;
+    if (options === void 0) { options = {}; }
+    var o = tslib_1.__assign(tslib_1.__assign({}, label_2.DefaultLabelOptions), options);
+    var label = (0, label_2.bundleLabel)(pair, o);
+    return "".concat((_a = o === null || o === void 0 ? void 0 : o.interactionType) !== null && _a !== void 0 ? _a : 'Distance', "</br>").concat(label);
+}
+exports.contactLabel = contactLabel;
+function getContactState() {
+    return {
+        sphereA: (0, geometry_1.Sphere3D)(),
+        sphereB: (0, geometry_1.Sphere3D)(),
+        center: (0, linear_algebra_1.Vec3)(),
+        distance: 0,
+    };
+}
+function setContactState(pair, state) {
+    var sphereA = state.sphereA, sphereB = state.sphereB, center = state.center;
+    var _a = pair.loci, lociA = _a[0], lociB = _a[1];
+    loci_1.Loci.getBoundingSphere(lociA, sphereA);
+    loci_1.Loci.getBoundingSphere(lociB, sphereB);
+    linear_algebra_1.Vec3.add(center, sphereA.center, sphereB.center);
+    linear_algebra_1.Vec3.scale(center, center, 0.5);
+    state.distance = linear_algebra_1.Vec3.distance(sphereA.center, sphereB.center);
+    return state;
+}
+var tmpState = getContactState();
+function getContactName(data, unitLabel) {
+    return data.pairs.length === 1
+        ? "Contact ".concat((0, label_1.distanceLabel)(data.pairs[0], {
+            unitLabel: unitLabel,
+            measureOnly: true,
+        }))
+        : "".concat(data.pairs.length, " Contacts");
+}
+//
+function buildCylinders(data, props, cylinders) {
+    var builder = cylinders_builder_1.CylindersBuilder.create(128, 64, cylinders);
+    for (var i = 0, il = data.pairs.length; i < il; ++i) {
+        setContactState(data.pairs[i], tmpState);
+        // TODO: radiusScale: number, topCap: boolean, bottomCap: boolean
+        builder.addFixedLengthDashes(tmpState.sphereA.center, tmpState.sphereB.center, props.dashLength, 1, true, true, i);
+    }
+    return builder.getCylinders();
+}
+function getCylindersShape(ctx, data, props, shape) {
+    var cylinders = buildCylinders(data, props, shape && shape.geometry);
+    var name = getContactName(data, props.unitLabel);
+    var getLabel = function (groupId) {
+        return contactLabel(data.pairs[groupId], props);
+    };
+    return shape_1.Shape.create(name, data, cylinders, function () { return props.cylinderColor; }, function () { return props.linesSize; }, getLabel);
+}
+//
+function buildText(data, props, text) {
+    var builder = text_builder_1.TextBuilder.create(props, 128, 64, text);
+    for (var i = 0, il = data.pairs.length; i < il; ++i) {
+        setContactState(data.pairs[i], tmpState);
+        var center = tmpState.center, distance = tmpState.distance, sphereA = tmpState.sphereA, sphereB = tmpState.sphereB;
+        var label = props.customText || "".concat(distance.toFixed(2), " ").concat(props.unitLabel);
+        var radius = Math.max(2, sphereA.radius, sphereB.radius);
+        var scale = radius / 2;
+        builder.add(label, center[0], center[1], center[2], 1, scale, i);
+    }
+    return builder.getText();
+}
+function getTextShape(ctx, data, props, shape) {
+    var text = buildText(data, props, shape && shape.geometry);
+    var name = getContactName(data, props.unitLabel);
+    var getLabel = function (groupId) {
+        return (0, label_1.distanceLabel)(data.pairs[groupId], props);
+    };
+    return shape_1.Shape.create(name, data, text, function () { return props.textColor; }, function () { return props.textSize; }, getLabel);
+}
+function ContactRepresentation(ctx, getParams) {
+    return representation_2.Representation.createMulti('Contact', ctx, getParams, representation_2.Representation.StateBuilder, ContactVisuals);
+}
+exports.ContactRepresentation = ContactRepresentation;

package/lib/drugflow-molstar-component-build-0.3.40.js

@@ -0,0 +1,2 @@
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package/lib/drugflow-molstar-component-build-0.3.40.js.LICENSE.txt

@@ -0,0 +1,24 @@
+/**
+ * @license
+ * Copyright (c) 2017 The Polymer Project Authors. All rights reserved.
+ * This code may only be used under the BSD style license found at
+ * http://polymer.github.io/LICENSE.txt
+ * The complete set of authors may be found at
+ * http://polymer.github.io/AUTHORS.txt
+ * The complete set of contributors may be found at
+ * http://polymer.github.io/CONTRIBUTORS.txt
+ * Code distributed by Google as part of the polymer project is also
+ * subject to an additional IP rights grant found at
+ * http://polymer.github.io/PATENTS.txt
+ */
+
+/**
+@license
+Copyright (c) 2019 The Polymer Project Authors. All rights reserved.
+This code may only be used under the BSD style license found at
+http://polymer.github.io/LICENSE.txt The complete set of authors may be found at
+http://polymer.github.io/AUTHORS.txt The complete set of contributors may be
+found at http://polymer.github.io/CONTRIBUTORS.txt Code distributed by Google as
+part of the polymer project is also subject to an additional IP rights grant
+found at http://polymer.github.io/PATENTS.txt
+*/

package/lib/drugflow-molstar-component-build-0.3.41.js

@@ -0,0 +1,2 @@
+/*! For license information please see drugflow-molstar-component-build-0.3.41.js.LICENSE.txt */
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package/lib/drugflow-molstar-component-build-0.3.41.js.LICENSE.txt

@@ -0,0 +1,24 @@
+/**
+ * @license
+ * Copyright (c) 2017 The Polymer Project Authors. All rights reserved.
+ * This code may only be used under the BSD style license found at
+ * http://polymer.github.io/LICENSE.txt
+ * The complete set of authors may be found at
+ * http://polymer.github.io/AUTHORS.txt
+ * The complete set of contributors may be found at
+ * http://polymer.github.io/CONTRIBUTORS.txt
+ * Code distributed by Google as part of the polymer project is also
+ * subject to an additional IP rights grant found at
+ * http://polymer.github.io/PATENTS.txt
+ */
+
+/**
+@license
+Copyright (c) 2019 The Polymer Project Authors. All rights reserved.
+This code may only be used under the BSD style license found at
+http://polymer.github.io/LICENSE.txt The complete set of authors may be found at
+http://polymer.github.io/AUTHORS.txt The complete set of contributors may be
+found at http://polymer.github.io/CONTRIBUTORS.txt Code distributed by Google as
+part of the polymer project is also subject to an additional IP rights grant
+found at http://polymer.github.io/PATENTS.txt
+*/

package/lib/index.js

@@ -29,6 +29,7 @@ var mesh_builder_1 = require("molstar/lib/mol-geo/geometry/mesh/mesh-builder");
 var linear_algebra_1 = require("molstar/lib/mol-math/linear-algebra");
 var int_1 = require("molstar/lib/mol-data/int");
 var names_1 = require("molstar/lib/mol-util/color/names");
+var structure_contact3d_1 = require("./structure_contact3d");
 require('molstar/lib/mol-plugin-ui/skin/light.scss');
 var DrugflowMolstarPlugin = /** @class */ (function () {
     function DrugflowMolstarPlugin() {
@@ -960,7 +961,7 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
             return s;
         }
         else if (type === 'ligand_view') {
-            this.create_ligand_view(s, ligand_id, true, ligand_name);
+            this.create_ligand_view(s, ligand_id, true, 'A', 0, ligand_name);
             return s;
         }
         return s;
@@ -1204,6 +1205,76 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
         (_b = this.plugin.canvas3d) === null || _b === void 0 ? void 0 : _b.remove(selector.obj.data.repr);
         (_c = this.plugin.canvas3d) === null || _c === void 0 ? void 0 : _c.update();
     };
+    DrugflowMolstarPlugin.prototype.add_contact = function (contactPair) {
+        return tslib_1.__awaiter(this, void 0, void 0, function () {
+            var _b, structure_ref, start_query, end_query, interactionType, color, id, loci1, loci2;
+            return tslib_1.__generator(this, function (_c) {
+                switch (_c.label) {
+                    case 0:
+                        _b = contactPair !== null && contactPair !== void 0 ? contactPair : {}, structure_ref = _b.structure_ref, start_query = _b.start_query, end_query = _b.end_query, interactionType = _b.interactionType, color = _b.color, id = _b.id;
+                        loci1 = this.getLociForParams(start_query);
+                        loci2 = this.getLociForParams(end_query);
+                        if (!(loci1 && loci2)) return [3 /*break*/, 2];
+                        return [4 /*yield*/, this.addInteractionRepr(loci1, loci2, structure_ref, {
+                                interactionType: interactionType,
+                                cylinderParams: {
+                                    cylinderColor: color,
+                                },
+                                visualParams: {
+                                    visuals: ['cylinder'],
+                                },
+                                prolif_id: id
+                            })];
+                    case 1:
+                        _c.sent();
+                        _c.label = 2;
+                    case 2: return [2 /*return*/];
+                }
+            });
+        });
+    };
+    DrugflowMolstarPlugin.prototype.addInteractionRepr = function (a, b, s_ref, options) {
+        return tslib_1.__awaiter(this, void 0, void 0, function () {
+            var cellA, cellB, dependsOn, update;
+            return tslib_1.__generator(this, function (_b) {
+                switch (_b.label) {
+                    case 0:
+                        cellA = this.plugin.helpers.substructureParent.get(a.structure);
+                        cellB = this.plugin.helpers.substructureParent.get(b.structure);
+                        if (!cellA || !cellB)
+                            return [2 /*return*/];
+                        dependsOn = [cellA.transform.ref, cellB.transform.ref];
+                        update = this.plugin.state.data.build().to(s_ref);
+                        update.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
+                            selections: [
+                                {
+                                    key: 'a',
+                                    groupId: 'a',
+                                    ref: cellA.transform.ref,
+                                    expression: structure_2.StructureElement.Loci.toExpression(a),
+                                },
+                                {
+                                    key: 'b',
+                                    groupId: 'b',
+                                    ref: cellB.transform.ref,
+                                    expression: structure_2.StructureElement.Loci.toExpression(b),
+                                },
+                            ],
+                            isTransitive: true,
+                            label: 'Contact',
+                        }, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags })
+                            .apply(structure_contact3d_1.StructureSelectionsContact3D, tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({ customText: (options === null || options === void 0 ? void 0 : options.customText) || '', unitLabel: options === null || options === void 0 ? void 0 : options.distanceUnitLabel, textColor: options === null || options === void 0 ? void 0 : options.textColor, interactionType: options === null || options === void 0 ? void 0 : options.interactionType }, options === null || options === void 0 ? void 0 : options.cylinderParams), options === null || options === void 0 ? void 0 : options.labelParams), options === null || options === void 0 ? void 0 : options.visualParams), { tags: options === null || options === void 0 ? void 0 : options.reprTags, ref: options.prolif_id });
+                        return [4 /*yield*/, commands_1.PluginCommands.State.Update(this.plugin, {
+                                state: this.plugin.state.data,
+                                tree: update
+                            })];
+                    case 1:
+                        _b.sent();
+                        return [2 /*return*/];
+                }
+            });
+        });
+    };
     return DrugflowMolstarPlugin;
 }());
 window.DrugflowMolstarPlugin = DrugflowMolstarPlugin;

package/lib/structure_contact3d.d.ts

@@ -0,0 +1,60 @@
+import { StateTransformer } from 'molstar/lib/mol-state';
+import { PluginStateObject as SO } from 'molstar/lib/mol-plugin-state/objects';
+export { StructureSelectionsContact3D };
+declare type StructureSelectionsContact3D = typeof StructureSelectionsContact3D;
+declare const StructureSelectionsContact3D: StateTransformer<SO.Molecule.Structure.Selections, SO.Shape.Representation3D, import("molstar/lib/mol-util/param-definition").ParamDefinition.Normalize<{
+    visuals: ("text" | "cylinder")[];
+    unitLabel: string;
+    borderWidth: number;
+    customText: string;
+    textColor: import("molstar/lib/mol-util/color").Color;
+    textSize: number;
+    sizeFactor: number;
+    borderColor: import("molstar/lib/mol-util/color").Color;
+    offsetX: number;
+    offsetY: number;
+    offsetZ: number;
+    background: boolean;
+    backgroundMargin: number;
+    backgroundColor: import("molstar/lib/mol-util/color").Color;
+    backgroundOpacity: number;
+    tether: boolean;
+    tetherLength: number;
+    tetherBaseWidth: number;
+    attachment: "bottom-left" | "bottom-center" | "bottom-right" | "middle-left" | "middle-center" | "middle-right" | "top-left" | "top-center" | "top-right";
+    fontFamily: import("molstar/lib/mol-geo/geometry/text/font-atlas").FontFamily;
+    fontQuality: number;
+    fontStyle: import("molstar/lib/mol-geo/geometry/text/font-atlas").FontStyle;
+    fontVariant: import("molstar/lib/mol-geo/geometry/text/font-atlas").FontVariant;
+    fontWeight: import("molstar/lib/mol-geo/geometry/text/font-atlas").FontWeight;
+    alpha: number;
+    quality: "auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest";
+    material: import("molstar/lib/mol-util/param-definition").ParamDefinition.Normalize<{
+        metalness: number;
+        roughness: number;
+        bumpiness: number;
+    }>;
+    clip: import("molstar/lib/mol-util/param-definition").ParamDefinition.Normalize<{
+        variant: import("molstar/lib/mol-util/clip").Clip.Variant;
+        objects: import("molstar/lib/mol-util/param-definition").ParamDefinition.Normalize<{
+            type: any;
+            invert: any;
+            position: any;
+            rotation: any;
+            scale: any;
+        }>[];
+    }>;
+    instanceGranularity: boolean;
+    lineSizeAttenuation: boolean;
+    linesSize: number;
+    dashLength: number;
+    interactionType: string;
+    cylinderColor: import("molstar/lib/mol-util/color").Color;
+    sizeAspectRatio: number;
+    doubleSided: boolean;
+    ignoreLight: boolean;
+    xrayShaded: boolean;
+    transparentBackfaces: string;
+    bumpFrequency: number;
+    bumpAmplitude: number;
+}>>;

package/lib/structure_contact3d.js

@@ -0,0 +1,60 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.StructureSelectionsContact3D = void 0;
+var tslib_1 = require("tslib");
+var mol_state_1 = require("molstar/lib/mol-state");
+var mol_task_1 = require("molstar/lib/mol-task");
+var objects_1 = require("molstar/lib/mol-plugin-state/objects");
+var helpers_1 = require("molstar/lib/mol-plugin-state/transforms/helpers");
+var contact_1 = require("./contact");
+var StructureSelectionsContact3D = objects_1.PluginStateTransform.BuiltIn({
+    name: 'structure-selections-contact-3d',
+    display: '3D Contact',
+    from: objects_1.PluginStateObject.Molecule.Structure.Selections,
+    to: objects_1.PluginStateObject.Shape.Representation3D,
+    params: function () { return (tslib_1.__assign({}, contact_1.ContactParams)); }
+})({
+    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 mol_task_1.Task.create('Structure Contact', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
+            var data, repr;
+            var _a;
+            return tslib_1.__generator(this, function (_b) {
+                switch (_b.label) {
+                    case 0:
+                        data = (0, helpers_1.getDistanceDataFromStructureSelections)(a.data);
+                        repr = (0, contact_1.ContactRepresentation)(tslib_1.__assign({ webgl: (_a = plugin.canvas3d) === null || _a === void 0 ? void 0 : _a.webgl }, plugin.representation.structure.themes), function () { return contact_1.ContactParams; });
+                        return [4 /*yield*/, repr.createOrUpdate(params, data).runInContext(ctx)];
+                    case 1:
+                        _b.sent();
+                        return [2 /*return*/, new objects_1.PluginStateObject.Shape.Representation3D({ repr: repr, sourceData: data }, { label: "Contact" })];
+                }
+            });
+        }); });
+    },
+    update: function (_a, plugin) {
+        var _this = this;
+        var a = _a.a, b = _a.b, oldParams = _a.oldParams, newParams = _a.newParams;
+        return mol_task_1.Task.create('Structure Contact', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
+            var props, data;
+            return tslib_1.__generator(this, function (_a) {
+                switch (_a.label) {
+                    case 0:
+                        props = tslib_1.__assign(tslib_1.__assign({}, b.data.repr.props), newParams);
+                        data = (0, helpers_1.getDistanceDataFromStructureSelections)(a.data);
+                        return [4 /*yield*/, b.data.repr.createOrUpdate(props, data).runInContext(ctx)];
+                    case 1:
+                        _a.sent();
+                        b.data.sourceData = data;
+                        return [2 /*return*/, mol_state_1.StateTransformer.UpdateResult.Updated];
+                }
+            });
+        }); });
+    },
+});
+exports.StructureSelectionsContact3D = StructureSelectionsContact3D;

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "drugflow-molstar",
-  "version": "0.3.39",
+  "version": "0.3.41",
   "description": "Molstar implementation for DrugFlow",
   "main": "index.js",
   "scripts": {