from pathlib import Path from boltzgen.data.data import Record, Structure def load_record(record_id: str, record_dir: Path) -> Record: """Load the given record. Parameters ---------- record_id : str The record id to load. record_dir : Path The path to the record directory. Returns ------- Record The loaded record. """ return Record.load(record_dir / f"{record_id}.json") def load_structure(record: Record, struct_dir: Path) -> Structure: """Load the given input data. Parameters ---------- record : str The record to load. target_dir : Path The path to the data directory. Returns ------- Input The loaded input. """ if (struct_dir / f"{record.id}.npz").exists(): structure_path = struct_dir / f"{record.id}.npz" else: structure_path = struct_dir / f"{record.id}" / f"{record.id}_model_0.npz" return Structure.load(structure_path)