import { IAtom, TreeNodeType } from "@/UI/Navigation/TreeView/TreeInterfaces"; import * as api from "@/Api"; import { getFormatInfoGivenType, IFormatInfo } from "../Types/MolFormats"; import { getFileNameParts } from "@/FileSystem/FilenameManipulation"; import { FileInfo } from "@/FileSystem/FileInfo"; import { TreeNode } from "@/TreeNodes/TreeNode/TreeNode"; import { TreeNodeList } from "@/TreeNodes/TreeNodeList/TreeNodeList"; import { makeEasyParser } from "../ParseMolModels/EasyParser"; import { slugify, capitalize } from "@/Core/Utils/StringUtils"; /** * Finds terminal nodes, and separates them into compounds and non-compounds. * (Kept for backward compatibility or specific plugins, though compileByMolecule is preferred now) * * @param {TreeNodeList} treeNodeList All compounds. * @returns {any} The terminal nodes, separated into * compounds and non-compounds. */ export function separateCompoundNonCompoundTerminalNodes( treeNodeList: TreeNodeList ): { [key: string]: TreeNodeList } { let terminalNodes = treeNodeList.filters.onlyTerminal; // Keep only terminal nodes with unique ids terminalNodes = terminalNodes.filters.onlyUnique; const compoundNodes = terminalNodes.filters.keepType(TreeNodeType.Compound); // TODO: Do keepAllButType const nonCompoundNodes = terminalNodes.filter( (node: TreeNode) => node.type !== TreeNodeType.Compound ); return { compoundNodes, nonCompoundNodes }; } /** * Given a list of molecules, collect text for saving. * Includes naming logic based on component type. * * @param {TreeNodeList} nodes The molecules. * @param {string} targetExt The target extension (format). * @param {boolean} merge Whether to merge all molecules into one. * @param {TreeNodeType} [type] The component type (for naming). * @returns {Promise} A promise that resolves to a list of FileInfo. */ export function getConvertedTxtsWithNaming( nodes: TreeNodeList, targetExt: string, merge: boolean, type?: TreeNodeType ): Promise { // Remove regions from nodes. These can never be converted. const ext = getPrimaryExt(targetExt); nodes = nodes.filters.keepRegions(false); // If no nodes left, nothing to convert. if (nodes.length === 0) { return Promise.resolve([]); } return nodes .toFileInfos(ext, merge) .then((molFileInfos: FileInfo[]) => { return molFileInfos.map((molFileInfo, idx) => { // Prepend the chain const molEntry = nodes.get(idx); molFileInfo.name = getFilename(molEntry, ext, type); molFileInfo.treeNode = molEntry; return molFileInfo; }); }); } /** * Backwards compatibility wrapper * * @param {TreeNodeList} nodes The molecules. * @param {string} targetExt The target extension (format). * @param {boolean} merge Whether to merge all molecules into one. * @param {string} [filename] The fileame to use. Will be generated if not given. * @returns {Promise} A promise that resolves to a list of FileInfo containing the texts for saving. */ export function getConvertedTxts( nodes: TreeNodeList, targetExt: string, merge: boolean, filename?: string ): Promise { const ext = getPrimaryExt(targetExt); nodes = nodes.filters.keepRegions(false); if (nodes.length === 0) return Promise.resolve([]); return nodes.toFileInfos(ext, merge).then((molFileInfos) => { return molFileInfos.map((molFileInfo, idx) => { molFileInfo.name = filename ? `${filename}.${ext}` : getFilename(nodes.get(idx), ext); molFileInfo.treeNode = nodes.get(idx); return molFileInfo; }); }); } export function getPrimaryExt(format: string): string { const formatInfo = getFormatInfoGivenType(format) as IFormatInfo; return formatInfo ? formatInfo.primaryExt : format; } /** * Get a filename appropriate for a given node (molecule). * * @param {TreeNode} treeNode The molecule. * @param {string} ext The extension to use. * @returns {string} The filename. */ function getFilename(treeNode: TreeNode, ext: string, type?: TreeNodeType): string { let txtPrts = [getFileNameParts(treeNode.src as string).basename]; // If it's a compound, try to be specific if (treeNode.type === TreeNodeType.Compound) { const easyMol = makeEasyParser(treeNode.model); const firstAtom: IAtom = easyMol.getAtom(0); const resn = firstAtom.resn ? firstAtom.resn.trim() : ""; const resi = firstAtom.resi ? firstAtom.resi.toString().trim() : ""; if (resn) txtPrts.push(resn); if (resi) txtPrts.push(resi); } const easyMol = makeEasyParser(treeNode.model); const firstAtom: IAtom = easyMol.getAtom(0); const chain = firstAtom.chain ? firstAtom.chain.trim() : ""; if (chain && chain !== " ") txtPrts.push(chain); // Append type if meaningful and not "Other" or "Compound" (already handled) if (type && type !== TreeNodeType.Other && type !== TreeNodeType.Compound) { txtPrts.push(capitalize(type)); } else if (type === TreeNodeType.Other) { // If we merged distinct things into "Other", maybe don't append anything or append "merged" // But usually src basename is enough. } // remove undefined or "" txtPrts = txtPrts.filter((x) => x); return slugify(txtPrts.join("-"), false) + "." + ext; } /** * Given a list of IFileInfo objects (e.g., from getSaveTxtPromises), save them * to the disk. Compress if necessary. * * @param {FileInfo[]} files The files to save. * @param {string} compressedName The filename to use. * @returns {Promise} A promise that resolves when the files are saved. */ export function saveTxtFiles( files: FileInfo[], compressedName: string ): Promise { if (files.length === 1) { // If we have a specific name for a single file, use it? // Or use the generated name? // Current logic: If 1 file, save directly. // We might want to override the generated name with the user-provided filename // if it makes sense. // However, the user provided "filename" usually implies the "Project Name". // If I save 1 protein, and name it "MyProject", I get "MyProject.zip" if multiple, // or "MyProject.pdb" if single. // But here files[0].name is already set to something like "1XDN-Protein.pdb". // The logic in the plugin passes `filename` as `compressedName`. // If the user provided a specific extension in the input, we might want to respect that. // But here `files[0]` has an extension derived from format. // Let's rely on the file's internal name but maybe use the user's filename // if it matches the extension. const userExt = getFileNameParts(compressedName).ext; const fileExt = getFileNameParts(files[0].name).ext; if (userExt && userExt.toLowerCase() === fileExt.toLowerCase()) { files[0].name = compressedName; } else if (!userExt) { // If user didn't provide extension, use their name + correct extension files[0].name = compressedName + "." + fileExt; } return api.fs.saveTxt(files[0]); } if (!compressedName.toLowerCase().endsWith(".zip")) { compressedName += ".zip"; } return api.fs.saveZipWithTxtFiles(compressedName, files); }