#!/usr/bin/env python3 """Create the PhaseFlow missing-count CSV views next to a source phase table.""" from __future__ import annotations import argparse import json from pathlib import Path import pandas as pd PHASE_COLUMNS = [f"group_{row}{column}" for row in range(1, 5) for column in range(1, 5)] PACKAGE_ROOT = Path(__file__).resolve().parents[1] def parse_args() -> argparse.Namespace: parser = argparse.ArgumentParser(description=__doc__) parser.add_argument("--input", type=Path, default=PACKAGE_ROOT / "data/raw/phase_diagram_original_scale.csv") parser.add_argument("--output-dir", type=Path, default=PACKAGE_ROOT / "data/raw/by_missing") return parser.parse_args() def main() -> None: args = parse_args() frame = pd.read_csv(args.input) required = {"AminoAcidSequence", *PHASE_COLUMNS} missing = sorted(required.difference(frame.columns)) if missing: raise ValueError(f"Missing required columns: {missing}") args.output_dir.mkdir(parents=True, exist_ok=True) missing_count = frame[PHASE_COLUMNS].isna().sum(axis=1) counts: dict[str, int] = {} for count in range(16): subset = frame.loc[missing_count == count] subset.to_csv(args.output_dir / f"missing_{count}.csv", index=False) counts[str(count)] = int(len(subset)) report = { "input": str(args.input), "rows": int(len(frame)), "phase_columns": PHASE_COLUMNS, "missing_count_rows": counts, } (args.output_dir / "missing_split_report.json").write_text( json.dumps(report, indent=2, sort_keys=True) + "\n" ) print(json.dumps(report, sort_keys=True)) if __name__ == "__main__": main()