drugflow-molstar 0.3.64 → 0.3.65

package/build/drugflow-molstar-plugin-0.3.65.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-0.3.65.js

@@ -0,0 +1,2 @@
+/*! For license information please see drugflow-molstar-component-build-0.3.65.js.LICENSE.txt */
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package/lib/drugflow-molstar-component-build-0.3.65.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

@@ -1213,39 +1213,86 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
         var state = this.plugin.state.data;
         var structure = state.select(structureRef)[0];
         if (!structure) {
-            console.warn("Structure ".concat(structureRef, " not found"));
+            console.warn("\u274C getContacts: Structure ".concat(structureRef, " not found"));
             return [];
         }
+        console.log("\uD83D\uDD0D getContacts: Searching for contacts in ".concat(structureRef));
         var contacts = [];
         var children = state.tree.children.get(structure.transform.ref);
+        console.log("  \uD83D\uDCCB Structure has ".concat((children === null || children === void 0 ? void 0 : children.size) || 0, " direct children"));
         if (children) {
             children.forEach(function (childRef) {
                 var cell = state.cells.get(childRef);
-                // 查找 MultiStructureSelectionFromExpression 节点（contact 的父节点）
-                if (cell && cell.transform.transformer.definition.name === 'multi-structure-selection-from-expression') {
-                    // 查找其子节点（StructureSelectionsContact3D）
-                    var contactChildren = state.tree.children.get(childRef);
-                    if (contactChildren) {
-                        contactChildren.forEach(function (contactChildRef) {
-                            var _b, _c;
-                            var contactCell = state.cells.get(contactChildRef);
-                            if (contactCell && contactCell.transform.transformer.definition.name === 'structure-selections-contact-3d') {
-                                contacts.push({
-                                    ref: contactChildRef,
-                                    parentRef: childRef,
-                                    label: ((_b = contactCell.obj) === null || _b === void 0 ? void 0 : _b.label) || contactChildRef,
-                                    visible: !contactCell.state.isHidden,
-                                    type: 'contact',
-                                    params: (_c = contactCell.params) === null || _c === void 0 ? void 0 : _c.values
-                                });
-                            }
-                        });
+                if (cell) {
+                    var transformerName = cell.transform.transformer.definition.name;
+                    console.log("    \u251C\u2500 Child: ".concat(childRef, ", Transformer: ").concat(transformerName));
+                    // 查找 MultiStructureSelectionFromExpression 节点（contact 的父节点）
+                    if (transformerName === 'multi-structure-selection-from-expression') {
+                        console.log("      \u2713 Found selection node: ".concat(childRef));
+                        // 查找其子节点（StructureSelectionsContact3D）
+                        var contactChildren = state.tree.children.get(childRef);
+                        console.log("      \uD83D\uDCCB Selection has ".concat((contactChildren === null || contactChildren === void 0 ? void 0 : contactChildren.size) || 0, " children"));
+                        if (contactChildren) {
+                            contactChildren.forEach(function (contactChildRef) {
+                                var _b, _c, _d, _e;
+                                var contactCell = state.cells.get(contactChildRef);
+                                if (contactCell) {
+                                    var contactTransformerName = contactCell.transform.transformer.definition.name;
+                                    console.log("        \u251C\u2500 Contact candidate: ".concat(contactChildRef, ", Transformer: ").concat(contactTransformerName));
+                                    if (contactTransformerName === 'structure-selections-contact-3d') {
+                                        console.log("          \u2713 Found contact node: ".concat(contactChildRef));
+                                        contacts.push({
+                                            ref: contactChildRef,
+                                            parentRef: childRef,
+                                            label: ((_b = contactCell.obj) === null || _b === void 0 ? void 0 : _b.label) || ((_d = (_c = contactCell.params) === null || _c === void 0 ? void 0 : _c.values) === null || _d === void 0 ? void 0 : _d.interactionType) || contactChildRef,
+                                            visible: !contactCell.state.isHidden,
+                                            type: 'contact',
+                                            params: (_e = contactCell.params) === null || _e === void 0 ? void 0 : _e.values
+                                        });
+                                    }
+                                }
+                            });
+                        }
                     }
                 }
             });
         }
+        console.log("  \u2705 Found ".concat(contacts.length, " contacts in ").concat(structureRef));
         return contacts;
     };
+    /**
+     * 调试状态树（打印结构信息）
+     */
+    DrugflowMolstarPlugin.prototype.debugStateTree = function () {
+        var state = this.plugin.state.data;
+        console.log('🔍 === State Tree Debug ===');
+        // 打印所有顶层结构
+        var structures = this.getLoadedStructures();
+        structures.forEach(function (structure) {
+            console.log("\uD83D\uDCE6 Structure: ".concat(structure.ref));
+            // 打印该结构的所有子节点
+            var children = state.tree.children.get(structure.ref);
+            if (children) {
+                children.forEach(function (childRef) {
+                    var cell = state.cells.get(childRef);
+                    if (cell) {
+                        console.log("  \u251C\u2500 ".concat(cell.transform.transformer.definition.name, " (ref: ").concat(childRef, ")"));
+                        // 打印子节点的子节点
+                        var grandChildren = state.tree.children.get(childRef);
+                        if (grandChildren && grandChildren.size > 0) {
+                            grandChildren.forEach(function (grandChildRef) {
+                                var grandCell = state.cells.get(grandChildRef);
+                                if (grandCell) {
+                                    console.log("  \u2502  \u2514\u2500 ".concat(grandCell.transform.transformer.definition.name, " (ref: ").concat(grandChildRef, ")"));
+                                }
+                            });
+                        }
+                    }
+                });
+            }
+        });
+        console.log('🔍 === End State Tree Debug ===');
+    };
     /**
      * 获取所有组件及其表示的完整树形结构
      * @returns 完整的结构树
@@ -2172,19 +2219,29 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
     };
     DrugflowMolstarPlugin.prototype.addInteractionRepr = function (a, b, s_ref, options) {
         return tslib_1.__awaiter(this, void 0, void 0, function () {
-            var cellA, cellB, dependsOn, update, selectionRef;
+            var cellA, cellB, dependsOn, state, structureCell, selectionRef, update, createdSelection, createdContact;
             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) {
-                            console.warn('Cannot create contact: cellA or cellB not found', { cellA: cellA, cellB: cellB });
+                            console.warn('❌ Cannot create contact: cellA or cellB not found', { cellA: cellA, cellB: cellB });
                             return [2 /*return*/];
                         }
+                        console.log("\uD83D\uDD17 Creating contact: ".concat(options === null || options === void 0 ? void 0 : options.prolif_id));
+                        console.log("  \uD83D\uDCCC Structure: ".concat(s_ref));
+                        console.log("  \uD83D\uDCCC CellA: ".concat(cellA.transform.ref));
+                        console.log("  \uD83D\uDCCC CellB: ".concat(cellB.transform.ref));
                         dependsOn = [cellA.transform.ref, cellB.transform.ref];
-                        update = this.plugin.state.data.build().to(s_ref);
+                        state = this.plugin.state.data;
+                        structureCell = state.select(s_ref)[0];
+                        if (!structureCell) {
+                            console.warn("\u274C Structure ".concat(s_ref, " not found in state"));
+                            return [2 /*return*/];
+                        }
                         selectionRef = (options === null || options === void 0 ? void 0 : options.prolif_id) ? "".concat(options.prolif_id, "_selection") : undefined;
+                        update = state.build().to(s_ref);
                         update.apply(transforms_1.StateTransforms.Model.MultiStructureSelectionFromExpression, {
                             selections: [
                                 {
@@ -2201,7 +2258,7 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                                 },
                             ],
                             isTransitive: true,
-                            label: 'Contact',
+                            label: (options === null || options === void 0 ? void 0 : options.interactionType) || 'Contact',
                         }, { dependsOn: dependsOn, tags: options === null || options === void 0 ? void 0 : options.selectionTags, ref: selectionRef })
                             .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, {
@@ -2211,6 +2268,22 @@ var DrugflowMolstarPlugin = /** @class */ (function () {
                     case 1:
                         _b.sent();
                         console.log("\u2705 Contact created: ".concat(options === null || options === void 0 ? void 0 : options.prolif_id, ", parent: ").concat(selectionRef, ", structure: ").concat(s_ref));
+                        // 验证节点是否成功创建
+                        if (selectionRef) {
+                            createdSelection = state.select(selectionRef)[0];
+                            createdContact = state.select(options.prolif_id)[0];
+                            if (!createdSelection || !createdContact) {
+                                console.warn("\u26A0\uFE0F Contact nodes not found after creation:", {
+                                    selectionRef: selectionRef,
+                                    selectionExists: !!createdSelection,
+                                    contactRef: options.prolif_id,
+                                    contactExists: !!createdContact
+                                });
+                            }
+                            else {
+                                console.log("\u2705 Verified contact nodes exist in state tree");
+                            }
+                        }
                         return [2 /*return*/];
                 }
             });

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "drugflow-molstar",
-  "version": "0.3.64",
+  "version": "0.3.65",
   "description": "Molstar implementation for DrugFlow",
   "main": "index.js",
   "scripts": {