#!/usr/bin/env python3 """Compare `simurg methyl qc` numerics with the sesame oracle (scripts/v2/sesame_oracle.R) on the same probes. python scripts/v2/methyl_oracle_compare.py --manifest M.csv --sesame DIR --out summary.json PREFIX... """ from __future__ import annotations import argparse import csv import json from pathlib import Path import numpy as np from simurg.formats.idat import read_idat from simurg.formats.methyl_manifest import read_methyl_manifest from simurg.signal import methyl as sig def _q(a: np.ndarray) -> dict[str, float]: a = a[np.isfinite(a)] if not len(a): return {} return {k: float(np.quantile(a, q)) for k, q in (("median", 0.5), ("p99", 0.99), ("max", 1.0))} def main() -> int: ap = argparse.ArgumentParser() ap.add_argument("--manifest", required=True) ap.add_argument("--sesame", required=True, type=Path) ap.add_argument("--out", required=True, type=Path) ap.add_argument("prefixes", nargs="+") a = ap.parse_args() man = read_methyl_manifest(a.manifest) pos = {p: i for i, p in enumerate(man.probe_ids)} res = {} for prefix in a.prefixes: # min_beads=0: the oracle runs without bead-count masking (see sesame_oracle.R) s = sig.assemble(read_idat(prefix + "_Grn.idat"), read_idat(prefix + "_Red.idat"), man, min_beads=0) rows = list(csv.DictReader((a.sesame / (Path(prefix).name + ".tsv")).open(), delimiter="\t")) idx = np.array([pos[r["probe_id"]] for r in rows]) def col(name: str, rows: list[dict[str, str]] = rows) -> np.ndarray: return np.array([float(r[name]) if r[name] not in ("NA", "") else np.nan for r in rows]) mask_s = np.array([r["mask"] == "TRUE" for r in rows]) variants = {} for neg in (True, False): p = sig.detection_p(s, combine_neg=neg) n, fg, fr = sig.noob(s, combine_neg=neg) variants[neg] = (p, n, fg, fr, sig.beta_values(n)) keep = ~mask_s & ~s.masked[idx] sp, sm, su, sb = col("pval"), col("m_noob"), col("u_noob"), col("beta_noob") ana = man.analytical()[idx] & keep out: dict[str, object] = { "probes": len(rows), "masked_sesame": int(mask_s.sum()), "masked_simurg": int(s.masked.sum()), } for neg, (p, n, fg, fr, b) in variants.items(): op, om, ou, ob = p[idx], n.m[idx], n.u[idx], b[idx] out[f"combine_neg={neg}"] = { "noob_fit": {"green": vars(fg), "red": vars(fr)}, "pval_abs_diff": _q(np.abs(op - sp)[keep]), "pval_identical_fraction": float((op[keep] == sp[keep]).mean()), "detection_call_agreement_0.05": float(((op < 0.05) == (sp < 0.05))[keep].mean()), "prop_passing": {"simurg": float((op[ana] < 0.05).mean()), "sesame": float((sp[ana] < 0.05).mean())}, "noob_m_rel_diff": _q(np.abs(om - sm)[keep] / np.maximum(np.abs(sm[keep]), 1)), "noob_u_rel_diff": _q(np.abs(ou - su)[keep] / np.maximum(np.abs(su[keep]), 1)), "beta_abs_diff": _q(np.abs(ob - sb)[keep]), "beta_corr": float(np.corrcoef(ob[keep & np.isfinite(sb)], sb[keep & np.isfinite(sb)])[0, 1]), } res[Path(prefix).name] = out a.out.write_text(json.dumps(res, indent=1)) print(json.dumps(res, indent=1)) return 0 if __name__ == "__main__": raise SystemExit(main())