| import type { FileInfo } from "@/FileSystem/FileInfo"; | |
| import { _convertTreeNodeList } from "@/FileSystem/LoadSaveMolModels/ConvertMolModels/_ConvertTreeNodeList"; | |
| import { parseAndLoadMoleculeFile } from "@/FileSystem/LoadSaveMolModels/ParseMolModels/ParseMoleculeFiles"; | |
| import { ILoadMolParams } from "@/FileSystem/LoadSaveMolModels/ParseMolModels/Types"; | |
| import { getFormatInfoGivenType } from "@/FileSystem/LoadSaveMolModels/Types/MolFormats"; | |
| import { messagesApi } from "@/Api/Messages"; | |
| import type { ITreeNode, TreeNode } from "../TreeNode/TreeNode"; | |
| import { TreeNodeListCopies } from "./_Copy"; | |
| import { EasyCriterion, TreeNodeListFilters } from "./_Filters"; | |
| import { TreeNodeListNodeActions } from "./_NodeActions"; | |
| import { randomID } from "@/Core/Utils/MiscUtils"; | |
| /** | |
| * TreeNodeList class | |
| */ | |
| export class TreeNodeList { | |
| public _nodes: TreeNode[] = []; | |
| private _filters: TreeNodeListFilters; | |
| private _nodeActions: TreeNodeListNodeActions; | |
| private _copy: TreeNodeListCopies; | |
| public triggerId = ""; // Purpose of this is just to trigger reactivity if needed | |
| // This is to keep track of titles. It takes a surprisingly long time to | |
| // generate this set on the fly. | |
| // private _titles: Set<string> = new Set<string>(); | |
| /** | |
| * Constructor. | |
| * | |
| * @param {TreeNode[]} [nodes] The nodes to add to the list. | |
| */ | |
| constructor(nodes?: TreeNode[]) { | |
| if (nodes) { | |
| this._nodes = nodes; | |
| // this._updateTitles(); | |
| } | |
| this._filters = new TreeNodeListFilters(this); | |
| this._nodeActions = new TreeNodeListNodeActions(this); | |
| this._copy = new TreeNodeListCopies(this); | |
| // For chaining | |
| return this; | |
| } | |
| /** | |
| * Triggers reactivity. This is useful on rare occasions you need to trigger | |
| * reactivity explicitly. Tested on the main, root node. May work on others. | |
| */ | |
| public triggerReactivity() { | |
| this.triggerId = randomID(); | |
| this.nodes = this.nodes.map((n) => n); | |
| for (const node of this.nodes) { | |
| node.triggerReactivity(); | |
| node.nodes?.triggerReactivity(); | |
| } | |
| } | |
| // private _updateTitles(): void { | |
| // this._titles = new Set<string>(); | |
| // this._nodes.forEach((node) => { | |
| // this._titles.add(node.title); | |
| // }); | |
| // } | |
| /** | |
| * Gets the filters. | |
| * | |
| * @returns {TreeNodeListFilters} The filters. | |
| */ | |
| public get filters(): TreeNodeListFilters { | |
| return this._filters; | |
| } | |
| /** | |
| * Gets the copy actions. | |
| * | |
| * @returns {TreeNodeListCopies} The copy actions. | |
| */ | |
| public get copy(): TreeNodeListCopies { | |
| return this._copy; | |
| } | |
| /** | |
| * Gets the nodes as an array. | |
| * | |
| * @returns {TreeNode[]} The nodes. | |
| */ | |
| public get nodes(): TreeNode[] { | |
| return this._nodes; | |
| } | |
| /** | |
| * Sets the nodes. | |
| * | |
| * @param {TreeNode[]} nodes The nodes. | |
| */ | |
| public set nodes(nodes: TreeNode[]) { | |
| this._nodes = nodes; | |
| // this._updateTitles(); | |
| } | |
| /** | |
| * An easy way to look up nodes in the descendency. Can be a list of | |
| * criteria (one criteria per level) or a single criteria. | |
| * | |
| * @param {EasyCriterion[]|EasyCriterion} searchCriteria The criteria. | |
| * @returns {TreeNodeList} The nodes that match the criteria. | |
| */ | |
| public lookup( | |
| searchCriteria: EasyCriterion[] | EasyCriterion | |
| ): TreeNodeList { | |
| return this._filters.lookup(searchCriteria); | |
| } | |
| /** | |
| * Add a node to the list. | |
| * | |
| * @param {TreeNode} node The node to add. | |
| */ | |
| public push(node: TreeNode) { | |
| // let newTitle = node.title; | |
| // if (this._titles.size > 0) { | |
| // // Does node.title already exist in this list? If so, rename it. | |
| // let idx = 0; | |
| // while (this._titles.has(newTitle)) { | |
| // newTitle = node.title + " (" + ++idx + ")"; | |
| // } | |
| // this._titles.add(newTitle); | |
| // } | |
| // node.title = newTitle; | |
| // // Throw warning if title already exists. | |
| // const titles = this._nodes.map((n) => n.title); | |
| // console.log("titles", titles); | |
| // // If the title already exists, throw warning. | |
| // if (titles.includes(node.title)) { | |
| // const msg = | |
| // "Warning: Node with title " + | |
| // node.title + | |
| // " already exists. When adding nodes, try to make them unique to avoid problems in the data panel!"; | |
| // // if (GlobalVars.isLocalHost) { | |
| // // alert(msg); | |
| // // } | |
| // console.warn(msg); | |
| // } | |
| this._nodes.push(node); | |
| } | |
| /** | |
| * Gets the number of nodes in this list. | |
| * | |
| * @returns {number} The number of nodes. | |
| */ | |
| public get length(): number { | |
| return this._nodes.length; | |
| } | |
| /** | |
| * Gets the node at the specified index. | |
| * | |
| * @param {number} index The index. | |
| * @returns {TreeNode} The node. | |
| */ | |
| public get(index: number): TreeNode { | |
| return this._nodes[index]; | |
| } | |
| /** | |
| * Sets the node at the specified index. | |
| * | |
| * @param {number} index The index. | |
| * @param {TreeNode} node The node. | |
| */ | |
| public set(index: number, node: TreeNode) { | |
| this._nodes[index] = node; | |
| } | |
| /** | |
| * Iterates through the nodes. | |
| * | |
| * @param {Function} func The function to call for each node. | |
| */ | |
| public forEach(func: (node: TreeNode, index: number) => void) { | |
| for (let i = 0; i < this._nodes.length; i++) { | |
| func(this._nodes[i], i); | |
| } | |
| } | |
| /** | |
| * Filters the nodes. | |
| * | |
| * @param {Function} func The function to call for each node. If the | |
| * function returns true, the node is included in | |
| * the result. | |
| * @returns {TreeNodeList} The filtered nodes. | |
| */ | |
| public filter( | |
| func: (node: TreeNode, index: number, array: any) => boolean | |
| ): TreeNodeList { | |
| return new TreeNodeList(this._nodes.filter(func)); | |
| } | |
| /** | |
| * Gets the first node in the list that matches the specified criteria. | |
| * | |
| * @param {Function} func The function to call for each node. If the | |
| * function returns true, the node is included in | |
| * the result. | |
| * @returns {TreeNode|undefined} The first node that matches the criteria, | |
| * or undefined if no nodes match the criteria. | |
| */ | |
| public find( | |
| func: (node: TreeNode, index?: number, array?: any) => boolean | |
| ): TreeNode | undefined { | |
| return this._nodes.find(func); | |
| } | |
| /** | |
| * Maps the nodes to a new array. | |
| * | |
| * @param {Function} func The function to call for each node. The function | |
| * should return the new value for the node. | |
| * @returns {any[]} The mapped values. | |
| */ | |
| public map( | |
| func: (node: TreeNode, index?: number, array?: any) => any | |
| ): any[] { | |
| return this._nodes.map(func); | |
| } | |
| /** | |
| * Removes the first node in the list and returns it. | |
| * | |
| * @returns {TreeNode|undefined} The node that was removed, or undefined if | |
| * the list is empty. | |
| */ | |
| public shift(): TreeNode | undefined { | |
| // const firstElement = this._nodes.shift(); | |
| // if (firstElement !== undefined) { | |
| // this._titles.delete(firstElement.title); | |
| // } | |
| return this._nodes.shift(); | |
| } | |
| /** | |
| * Inserts new elements at the start of the list, and returns the new length | |
| * of the list. | |
| * | |
| * @param {TreeNode} node The node to insert. | |
| * @returns {number} The new length of the list. | |
| */ | |
| public unshift(node: TreeNode): number { | |
| // this._titles.add(node.title); | |
| return this._nodes.unshift(node); | |
| } | |
| /** | |
| * Removes the last element from the list and returns it. If the list is | |
| * empty, undefined is returned and the list is not modified. | |
| * | |
| * @returns {TreeNode|undefined} The node that was removed, or undefined if | |
| * the list is empty. | |
| */ | |
| public pop(): TreeNode | undefined { | |
| // const lastElement = this._nodes.pop(); | |
| // if (lastElement !== undefined) { | |
| // this._titles.delete(lastElement.title); | |
| // } | |
| return this._nodes.pop(); | |
| } | |
| /** | |
| * Adds all the nodes in the specified list to this list. Acts in place, but | |
| * also returns this list for chaining. | |
| * | |
| * @param {TreeNodeList} nodeList The list of nodes to add. | |
| * @returns {TreeNodeList} This list. | |
| */ | |
| public extend(nodeList: TreeNodeList): TreeNodeList { | |
| nodeList.forEach((node: TreeNode) => { | |
| this.push(node); | |
| }); | |
| return this; | |
| } | |
| /** | |
| * Calls the specified callback function for all the elements in the list. | |
| * The return value of the callback function is the accumulated result, and | |
| * is provided as an argument in the next call to the callback function. | |
| * | |
| * @param {Function} func The function to call for each node. | |
| * The function should return the new | |
| * value for the accumulator. | |
| * @param {any} [initialValue] The initial value for the accumulator. | |
| * @returns {any} The accumulated result. | |
| */ | |
| public reduce( | |
| func: ( | |
| accumulator: any, | |
| node: TreeNode, | |
| index?: number, | |
| array?: any | |
| ) => any, | |
| initialValue?: any | |
| ): any { | |
| return this._nodes.reduce(func, initialValue); | |
| } | |
| /** | |
| * Tests whether at least one element in the list passes the test | |
| * implemented by the provided function. | |
| * | |
| * @param {Function} func The function to test for each element. | |
| * @returns {boolean} `true` if the callback function returns a truthy | |
| * value for at least one element in the list. Otherwise, `false`. | |
| */ | |
| public some( | |
| func: (node: TreeNode, index?: number, array?: TreeNode[]) => boolean | |
| ): boolean { | |
| return this._nodes.some(func); | |
| } | |
| /** | |
| * Sorts the nodes. | |
| * | |
| * @param {Function} func The function to call for each node. The function | |
| * should return a number indicating the sort order. | |
| * @returns {TreeNodeList} This list, sorted (for chaining). | |
| */ | |
| public sort(func: (a: TreeNode, b: TreeNode) => number): TreeNodeList { | |
| this._nodes.sort(func); | |
| return this; | |
| } | |
| /** | |
| * Gets the nodes as an array. | |
| * | |
| * @returns {TreeNode[]} The nodes. | |
| */ | |
| public toArray(): TreeNode[] { | |
| return this._nodes; | |
| } | |
| /** | |
| * Gets the nodes as a serialized array of ITreeNode interfaces. Good for | |
| * saving to JSON or passing to webworker. | |
| * | |
| * @returns {ITreeNode[]} The serialized nodes. | |
| */ | |
| public serialize(): ITreeNode[] { | |
| return this._nodes.map((node: TreeNode) => { | |
| return node.serialize(); | |
| }); | |
| } | |
| /** | |
| * Clears the list of nodes. | |
| */ | |
| public clear() { | |
| this._nodes = []; | |
| // this._titles.clear(); | |
| } | |
| /** | |
| * Loads a molecule into the list. | |
| * | |
| * @deprecated Use `parseAndLoadMoleculeFile` from `FileSystem` instead. | |
| * @param {ILoadMolParams} params The parameters for loading the molecule. | |
| * @returns {Promise<void | TreeNodeList>} A promise that resolves with the | |
| * list of new nodes, or undefined on failure. | |
| */ | |
| public async loadFromFileInfo( | |
| params: ILoadMolParams | |
| ): Promise<void | TreeNodeList> { | |
| return parseAndLoadMoleculeFile(params); | |
| } | |
| /** | |
| * Remove a node of given id, as well as any childless nodes that result. | |
| * In-place operation. | |
| * | |
| * @param {string | TreeNode | null} node The id of the node to remove, or | |
| * the node itself. | |
| */ | |
| public removeNode(node: string | TreeNode | null) { | |
| // if (typeof node === "string") { | |
| // // If it's a string | |
| // this._titles.delete(node); | |
| // } else if (node) { | |
| // // It's a TreeNode | |
| // this._titles.delete(node.title); | |
| // } | |
| this._nodeActions.remove(node); | |
| } | |
| /** | |
| * Gets all the nodes, whether terminal or not. | |
| * | |
| * @returns {TreeNodeList} The flat array of all nodes. | |
| */ | |
| public get flattened(): TreeNodeList { | |
| return this._nodeActions.flattened; | |
| } | |
| /** | |
| * An alias for filters.onlyTerminal. Gets all the terminal nodes. You | |
| * access this offten enough that it's easier to add this alias. | |
| * | |
| * @returns {TreeNodeList} All the terminal nodes. | |
| */ | |
| public get terminals(): TreeNodeList { | |
| return this._filters.onlyTerminal; | |
| } | |
| /** | |
| * Convert this TreeNodeList to a specified molecular format. | |
| * | |
| * @param {string} targetExt The extension of the format to | |
| * convert to. | |
| * @param {boolean} [merge=true] Whether to merge the models into | |
| * a single PDB string. | |
| * @returns {FileInfo[]} The text-formatted (e.g., PDB, MOL2) strings. | |
| */ | |
| public async toFileInfos( | |
| targetExt: string, | |
| merge = true | |
| ): Promise<FileInfo[]> { | |
| // Determine if in worker | |
| const inWorker = | |
| // eslint-disable-next-line @typescript-eslint/ban-ts-comment | |
| // @ts-ignore | |
| typeof WorkerGlobalScope !== "undefined" && | |
| // eslint-disable-next-line @typescript-eslint/ban-ts-comment | |
| // @ts-ignore | |
| self instanceof WorkerGlobalScope; | |
| const formatInfo = getFormatInfoGivenType(targetExt); | |
| // Start spinner | |
| let spinnerId: any; | |
| if (!inWorker) { | |
| spinnerId = messagesApi.startWaitSpinner(); | |
| } | |
| const fileInfos = await _convertTreeNodeList(this, targetExt, merge); | |
| // Update the molecule name in the fileInfo contents | |
| for (let i = 0; i < fileInfos.length; i++) { | |
| if (formatInfo && formatInfo.updateMolNameInContents) { | |
| fileInfos[i].contents = formatInfo.updateMolNameInContents( | |
| fileInfos[i].contents, | |
| this._nodes[i].title | |
| ); | |
| } | |
| } | |
| if (!inWorker) { | |
| messagesApi.stopWaitSpinner(spinnerId); | |
| } | |
| return fileInfos; | |
| } | |
| /** | |
| * A helper function tht adds all the nodes in this list to the molecules in | |
| * the vuex store. | |
| * | |
| * @param {string | null} tag The tag to add to the main tree. | |
| * @param {boolean} [reassignIds=true] Whether to reassign IDs to the new | |
| * nodes to avoid collisions. Set to false | |
| * when loading a saved session. | |
| * @param {boolean} [terminalNodeTitleRevisable=true] Whether the title of | |
| * the terminal node | |
| * should be revisable. | |
| * Revised if there is | |
| * only one terminal | |
| * node. If you're adding | |
| * nodes incrementally, | |
| * good to set to false. | |
| * @param {boolean} [resetVisibilityAndSelection=true] Whether to make the molecule | |
| * visible and unselected. Set to false | |
| * when loading a saved session where these | |
| * properties should be preserved. | |
| */ | |
| public addToMainTree( | |
| tag: string | null, | |
| reassignIds = true, | |
| terminalNodeTitleRevisable = true, | |
| resetVisibilityAndSelection = true | |
| ) { | |
| for (const node of this._nodes) { | |
| node.addToMainTree( | |
| tag, | |
| reassignIds, | |
| terminalNodeTitleRevisable, | |
| resetVisibilityAndSelection | |
| ); | |
| } | |
| } | |
| /** | |
| * A helper function that creates a new TreeNodeList. This is useful for | |
| * avoiding circular dependencies. | |
| * | |
| * @param {TreeNode[]} [nodes=[]] The nodes to add to the new list. | |
| * @returns {TreeNodeList} The new list. | |
| */ | |
| public newTreeNodeList(nodes: TreeNode[] = []): TreeNodeList { | |
| // To avoid circular dependencies | |
| return new TreeNodeList(nodes); | |
| } | |
| /** | |
| * Merges all the nodes in this list into a single node. This is useful for | |
| * converting a list of molecules into a single molecule. | |
| * | |
| * @param {string} [topLevelTitle=undefined] The title of the top-level | |
| * node. If undefined, the title | |
| * of the first node is used. | |
| * @returns {TreeNodeList} The new list. | |
| */ | |
| public merge(topLevelTitle?: string): TreeNodeList { | |
| // This is where the title is being set to first item. Bad if multiple | |
| // frames! | |
| const firstNode = this._nodes[0].shallowCopy(); | |
| if (topLevelTitle) { | |
| firstNode.title = topLevelTitle; | |
| } | |
| for (let i = 1; i < this._nodes.length; i++) { | |
| const node = this._nodes[i]; | |
| firstNode.mergeInto(node); | |
| } | |
| return new TreeNodeList([firstNode]); | |
| } | |
| } | |