"""Parse InterPro flat files into a queryable cache. Downloads from: - https://ftp.ebi.ac.uk/pub/databases/interpro/current_release/entry.list - https://ftp.ebi.ac.uk/pub/databases/interpro/current_release/ParentChildTreeFile.txt Produces: - tmp/mcq_build/interpro_cache.json { "entries": {"IPR000169": {"type": "Active_site", "name": "Cysteine peptidase, active site"}}, "parent": {"IPR037302": "IPR000008", ...}, # child -> parent "children": {"IPR000008": ["IPR014705", ...]}, # parent -> children "roots": ["IPR000008", ...], # entries with no parent (hierarchy roots) } Parent-child tree file format: IPR000008::C2 domain:: --IPR014705::Synaptotagmin-17, C2B domain:: ----IPR037302::deeper nesting:: Indentation level = 2 * depth (each "--" pair adds one level). """ from __future__ import annotations import json import re from pathlib import Path HERE = Path(__file__).parent ENTRY_LIST = HERE / "entry.list" TREE_FILE = HERE / "ParentChildTreeFile.txt" OUTPUT = HERE / "interpro_cache.json" IPR_LINE_RE = re.compile(r"^(-*)(IPR\d{6})::([^:]*)::") def parse_entries() -> dict[str, dict[str, str]]: """Parse entry.list → {IPR: {type, name}}.""" entries: dict[str, dict[str, str]] = {} with open(ENTRY_LIST) as f: header = f.readline() assert header.startswith("ENTRY_AC"), f"unexpected header: {header!r}" for line in f: parts = line.rstrip("\n").split("\t") if len(parts) < 3: continue ac, etype, name = parts[0], parts[1], parts[2] if not ac.startswith("IPR"): continue entries[ac] = {"type": etype, "name": name} return entries def parse_tree() -> tuple[dict[str, str], dict[str, list[str]], list[str]]: """Parse ParentChildTreeFile.txt → (parent_map, children_map, roots). Returns: parent: dict mapping child IPR → immediate parent IPR children: dict mapping parent IPR → list of immediate child IPRs roots: list of IPRs that appear as top-level entries (depth 0) """ parent: dict[str, str] = {} children: dict[str, list[str]] = {} roots: list[str] = [] # Stack of (depth, IPR) for current lineage stack: list[tuple[int, str]] = [] with open(TREE_FILE) as f: for raw in f: line = raw.rstrip("\n") if not line: continue m = IPR_LINE_RE.match(line) if not m: continue dashes, ac, _name = m.group(1), m.group(2), m.group(3) depth = len(dashes) // 2 # Pop stack until we find the parent depth while stack and stack[-1][0] >= depth: stack.pop() if stack: par = stack[-1][1] parent[ac] = par children.setdefault(par, []).append(ac) else: roots.append(ac) children.setdefault(ac, []) stack.append((depth, ac)) return parent, children, roots def main() -> int: entries = parse_entries() parent, children, roots = parse_tree() cache = { "entries": entries, "parent": parent, "children": children, "roots": roots, "stats": { "n_entries": len(entries), "n_in_hierarchy": len(parent) + len(roots), "n_with_children": sum(1 for v in children.values() if v), "n_roots": len(roots), }, } with open(OUTPUT, "w") as f: json.dump(cache, f) print(f"Saved {OUTPUT}") print(f" entries: {cache['stats']['n_entries']}") print(f" hierarchy nodes: {cache['stats']['n_in_hierarchy']}") print(f" roots: {cache['stats']['n_roots']}") print(f" entries with children: {cache['stats']['n_with_children']}") return 0 if __name__ == "__main__": raise SystemExit(main())