drugflow-molstar 0.3.40 → 0.3.42

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": "0.3.40",
+  "version": "0.3.42",
   "description": "Molstar implementation for DrugFlow",
   "main": "index.js",
   "scripts": {