drugflow-molstar 0.3.16 → 0.3.17

package/build/drugflow-molstar-plugin-0.3.17.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/drugflow-molstar-component-build-0.3.17.js

@@ -0,0 +1,2 @@
+/*! For license information please see drugflow-molstar-component-build-0.3.17.js.LICENSE.txt */
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package/lib/drugflow-molstar-component-build-0.3.17.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

@@ -344,6 +344,7 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                 });
             }); },
             show_all: function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
+                var ret;
                 return tslib_1.__generator(this, function (_b) {
                     switch (_b.label) {
                         case 0: return [4 /*yield*/, this.visual.deselect_current()];
@@ -351,7 +352,7 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                             _b.sent();
                             return [4 /*yield*/, this.visual.show_prev()];
                         case 2:
-                            _b.sent();
+                            ret = _b.sent();
                             return [4 /*yield*/, this.visual.select(this.selected_info.all.polymer)];
                         case 3:
                             _b.sent();
@@ -385,14 +386,18 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                         case 8:
                             _b.sent();
                             this.selected_info.all = { "polymer": [], "ligand": [], "other": [] };
-                            return [2 /*return*/];
+                            return [2 /*return*/, ret];
                     }
                 });
             }); },
             show_prev: function () { return tslib_1.__awaiter(_this, void 0, void 0, function () {
+                var ret_number, need_recreate, update_tree;
                 return tslib_1.__generator(this, function (_b) {
                     switch (_b.label) {
-                        case 0: return [4 /*yield*/, this.visual.deselect_current()];
+                        case 0:
+                            ret_number = 0;
+                            need_recreate = { 'polymer': false, 'ligand': false, 'water': false };
+                            return [4 /*yield*/, this.visual.deselect_current()];
                         case 1:
                             _b.sent();
                             return [4 /*yield*/, this.visual.select(this.selected_info.prev.polymer)];
@@ -400,21 +405,36 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                             _b.sent();
                             return [4 /*yield*/, this.visual._showSelect('Polymer')];
                         case 3:
-                            _b.sent();
+                            ret_number = _b.sent();
+                            if (ret_number !== 0) {
+                                need_recreate['polymer'] = true;
+                            }
                             return [4 /*yield*/, this.visual.select(this.selected_info.prev.ligand)];
                         case 4:
                             _b.sent();
                             return [4 /*yield*/, this.visual._showSelect('Ligand')];
                         case 5:
-                            _b.sent();
+                            ret_number = _b.sent();
+                            if (ret_number !== 0) {
+                                need_recreate['ligand'] = true;
+                            }
                             return [4 /*yield*/, this.visual.select(this.selected_info.prev.other)];
                         case 6:
                             _b.sent();
                             return [4 /*yield*/, this.visual._showSelect('Water')];
                         case 7:
-                            _b.sent();
+                            ret_number = _b.sent();
+                            if (ret_number !== 0) {
+                                need_recreate['water'] = true;
+                            }
                             this.selected_info.prev = { "polymer": [], "ligand": [], "other": [] };
-                            return [2 /*return*/];
+                            return [4 /*yield*/, this.create_structure_and_component(undefined, 'default', '0', need_recreate.polymer, need_recreate.ligand, need_recreate.water, false)];
+                        case 8:
+                            update_tree = _b.sent();
+                            return [4 /*yield*/, this.applyState(update_tree)];
+                        case 9:
+                            _b.sent();
+                            return [2 /*return*/, need_recreate];
                     }
                 });
             }); },
@@ -438,8 +458,10 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                                     // if (s.components.key !== type) continue;
                                     // components.push.apply(components, s.components);
                                 }
-                                if (components.length === 0)
-                                    return [2 /*return*/];
+                                if (components.length === 0) {
+                                    console.log('components is empty, need recreate');
+                                    return [2 /*return*/, -1];
+                                }
                                 console.log('showSelect components', components);
                                 return [4 /*yield*/, this.plugin.managers.structure.component.modifyByCurrentSelection(components, 'union')];
                             case 1:
@@ -448,7 +470,7 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                             case 2:
                                 _b.sent();
                                 this.add_selection_info();
-                                return [2 /*return*/];
+                                return [2 /*return*/, 0];
                         }
                     });
                 });
@@ -749,12 +771,28 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
             });
         });
     };
-    DrugflowMolstarPlugin.prototype.create_structure_and_component = function (model, type, ligand_id) {
-        var s = this.plugin.state.data.build().to(model).apply(transforms_1.StateTransforms.Model.StructureFromModel, { type: { name: 'model', params: {} } }, { ref: 'Structure_' + ligand_id });
+    DrugflowMolstarPlugin.prototype.create_structure_and_component = function (model, type, ligand_id, add_polymer, add_ligand, add_water, no_structure) {
+        if (add_polymer === void 0) { add_polymer = true; }
+        if (add_ligand === void 0) { add_ligand = true; }
+        if (add_water === void 0) { add_water = true; }
+        if (no_structure === void 0) { no_structure = true; }
+        var s;
+        if (no_structure) {
+            s = this.plugin.state.data.build().to(model).apply(transforms_1.StateTransforms.Model.StructureFromModel, { type: { name: 'model', params: {} } }, { ref: 'Structure_' + ligand_id });
+        }
+        else {
+            s = this.plugin.state.data.build().to('Structure_' + ligand_id);
+        }
         if (type === 'default') {
-            s.apply(transforms_1.StateTransforms.Model.StructureComponent, { type: { name: 'static', params: 'polymer' } }, { ref: 'Polymer' });
-            s.apply(transforms_1.StateTransforms.Model.StructureComponent, { type: { name: 'static', params: 'ligand' } }, { ref: 'Ligand' });
-            s.apply(transforms_1.StateTransforms.Model.StructureComponent, { type: { name: 'static', params: 'water' } }, { ref: 'Water' });
+            if (add_polymer) {
+                s.apply(transforms_1.StateTransforms.Model.StructureComponent, { type: { name: 'static', params: 'polymer' } }, { ref: 'Polymer' });
+            }
+            if (add_ligand) {
+                s.apply(transforms_1.StateTransforms.Model.StructureComponent, { type: { name: 'static', params: 'ligand' } }, { ref: 'Ligand' });
+            }
+            if (add_water) {
+                s.apply(transforms_1.StateTransforms.Model.StructureComponent, { type: { name: 'static', params: 'water' } }, { ref: 'Water' });
+            }
             return s;
         }
         else if (type === 'ligand_view') {

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "drugflow-molstar",
-  "version": "0.3.16",
+  "version": "0.3.17",
   "description": "Molstar implementation for DrugFlow",
   "main": "index.js",
   "scripts": {