#!/usr/bin/env python3 """ refactor_and_label.py One-shot pipeline: refactor raw SPH experiment folders into the public release layout AND apply auto-labels using a per-experiment median-zmin threshold. LABELING RULE (per-frame): Initial Emptiness if the corresponding monitor row has any |value| > 1e30 Keyhole if zmin < 1.5 * per-experiment-median-zmin (pool bottom is deeper than 1.5x the typical pool bottom) Conduction otherwise The per-experiment median zmin is computed over valid (non-IE) rows of monitor/position-bounds_melt.dat for that experiment only --- no cross- experiment comparison. Both median_zmin and per-frame zmin are negative (pool extends below substrate surface at z=0); "zmin < 1.5*median_zmin" is equivalent to "|zmin| > 1.5*|median_zmin|". EXCLUSIONS (whole experiment skipped, label column left empty): - fewer than 10 valid (non-IE) rows - per-experiment median zmin >= 0 (pool not subsurface) ASSUMPTION: monitor/position-bounds_melt.dat has one row per simulation timestep, starting at timestep 0. PNG filenames use the simulation timestep number (e.g. ss_100069_*.png), so the monitor row at index i corresponds to simulation timestep i. PNG frames are mapped by: monitor_row = rows[png_timestep] PNG frames whose timestep exceeds the available monitor rows are left unlabeled (counted in n_frames_unmapped). USAGE: # Single experiment (testing or one-off): python refactor_and_label.py --mode single # Whole dataset (batch): python refactor_and_label.py --mode set In set mode: source is a directory containing many P-...VX-...LS-... experiment folders; output receives sim_00001/, sim_00002/, ... in sorted order. In single mode: source is one P-...VX-... folder; output receives sim_00001/. """ import argparse import csv import json import re import shutil import statistics import sys import traceback from datetime import datetime, timezone from pathlib import Path # ---- Constants ------------------------------------------------------------- PARAM_MAP = { "P": ("laser_power", "W"), "VX": ("scan_speed_x", "m/s"), "LS": ("laser_spot_size", "m"), "ST": ("substrate_temperature", "K"), } SENTINEL_THRESHOLD = 1e30 MIN_VALID_ROWS = 10 KEYHOLE_RATIO = 1.5 SCRIPT_VERSION = "refactor+label v0.2" # ---- Folder-name parsing --------------------------------------------------- def decode_value(raw): if re.fullmatch(r"[A-Z0-9]+", raw): return raw return float(raw.replace("p", ".")) def parse_folder_name(name): out = {} for token in name.split("_"): if "-" not in token: continue key, _, value = token.partition("-") out[key] = value return out # ---- Monitor-file parsing -------------------------------------------------- def parse_monitor_dat(path): rows = [] with open(path) as f: for line in f: line = line.strip() if not line or line.startswith("#"): continue parts = [p.strip() for p in line.split(",")] try: values = [float(p) for p in parts[:6]] except ValueError: continue if len(values) < 6: continue rows.append(values) return rows def is_initial_emptiness_row(row): return any(abs(v) > SENTINEL_THRESHOLD for v in row) # ---- Per-experiment processing -------------------------------------------- def process_one(src, dst, sim_id): """Refactor + label a single experiment. Returns a summary dict.""" raw = parse_folder_name(src.name) # 1) Parameters parameters = {} for letter, (canonical, unit) in PARAM_MAP.items(): if letter not in raw: return {"sim_id": sim_id, "src_name": src.name, "fatal_error": f"missing parameter '{letter}' in folder name"} parameters[canonical] = {"value": decode_value(raw[letter]), "unit": unit} material = raw.get("M", None) # 2) Locate inputs final_results = src / "final_results" if not final_results.is_dir(): return {"sim_id": sim_id, "src_name": src.name, "fatal_error": "missing final_results/"} details_candidates = list(final_results.glob("*.json")) if len(details_candidates) != 1: return {"sim_id": sim_id, "src_name": src.name, "fatal_error": f"expected 1 JSON in final_results/, found {len(details_candidates)}"} details_src = details_candidates[0] monitor_src = final_results / "monitor" if not monitor_src.is_dir(): return {"sim_id": sim_id, "src_name": src.name, "fatal_error": "missing final_results/monitor/"} png_dir = src / "png_files" if not png_dir.is_dir(): return {"sim_id": sim_id, "src_name": src.name, "fatal_error": "missing png_files/"} # 3) Build dest dst.mkdir(parents=True) for view in ("front", "side", "top"): (dst / "frames" / view).mkdir(parents=True) # 4) Copy details + monitor shutil.copy2(details_src, dst / "experiment_details.json") shutil.copytree(monitor_src, dst / "monitor") # 5) Process PNG frames pattern = re.compile(r"ss_(\d+)_(front|side|top)\.png") by_timestep = {} for p in png_dir.iterdir(): m = pattern.match(p.name) if not m: continue ts, view = int(m.group(1)), m.group(2) by_timestep.setdefault(ts, {})[view] = p complete = {ts: views for ts, views in by_timestep.items() if len(views) == 3} skipped = len(by_timestep) - len(complete) sorted_timesteps = sorted(complete.keys()) n_frames = len(sorted_timesteps) for idx, ts in enumerate(sorted_timesteps): new_name = f"frame_{idx:05d}.png" for view, src_path in complete[ts].items(): shutil.copy2(src_path, dst / "frames" / view / new_name) # 6) Auto-label using monitor file (per-experiment median zmin, 1.5x threshold) monitor_dat = dst / "monitor" / "position-bounds_melt.dat" rows = parse_monitor_dat(monitor_dat) if monitor_dat.is_file() else [] label_status = "labeled" exclusion_reason = None median_zmin = None n_ie_rows = 0 n_valid_rows = 0 n_unmapped = 0 labels = [""] * n_frames if not rows: label_status, exclusion_reason = "excluded", "missing or empty position-bounds_melt.dat" else: is_ie = [is_initial_emptiness_row(r) for r in rows] n_ie_rows = sum(is_ie) valid = [r for r, ie in zip(rows, is_ie) if not ie] n_valid_rows = len(valid) if n_valid_rows < MIN_VALID_ROWS: label_status = "excluded" exclusion_reason = f"only {n_valid_rows} valid rows (need >= {MIN_VALID_ROWS})" else: median_zmin = statistics.median(r[4] for r in valid) if median_zmin >= 0: label_status = "excluded" exclusion_reason = (f"per-experiment median zmin >= 0 " f"({median_zmin:.3e} m); pool not subsurface") else: # Map each PNG frame to its monitor row by simulation timestep: # the .dat file has one row per simulation timestep, starting at 0. # PNG filenames use the simulation timestep number (e.g. ss_100069_*.png), # so row index = png timestep. # # Both median_zmin and per-frame zmin are negative (pool extends # below substrate surface at z=0); keyhole = pool bottom deeper # than 1.5x the typical bottom, i.e. zmin < 1.5*median_zmin # (more negative than the threshold). threshold = KEYHOLE_RATIO * median_zmin # negative for frame_idx, ts in enumerate(sorted_timesteps): if ts >= len(rows): n_unmapped += 1 continue # leave label empty if is_ie[ts]: labels[frame_idx] = "Initial Emptiness" else: zmin = rows[ts][4] labels[frame_idx] = "Keyhole" if zmin < threshold else "Conduction" # 7) Write parameters.json with open(dst / "parameters.json", "w") as f: json.dump(parameters, f, indent=2) # 8) Write frames.csv (with labels) with open(dst / "frames.csv", "w", newline="") as f: writer = csv.writer(f) writer.writerow(["frame_idx", "timestep", "label", "front_filename", "side_filename", "top_filename"]) for idx, ts in enumerate(sorted_timesteps): new_name = f"frame_{idx:05d}.png" writer.writerow([idx, ts, labels[idx], f"frames/front/{new_name}", f"frames/side/{new_name}", f"frames/top/{new_name}"]) # 9) Write metadata.json with open(dst / "metadata.json", "w") as f: json.dump({ "sim_id": sim_id, "original_folder_name": src.name, "original_hash": raw.get("H", None), "material": material, "n_frames": n_frames, "n_skipped_incomplete": skipped, }, f, indent=2) # 10) Write labeling_provenance.json n_keyhole = sum(1 for l in labels if l == "Keyhole") n_conduction = sum(1 for l in labels if l == "Conduction") n_ie = sum(1 for l in labels if l == "Initial Emptiness") now = datetime.now(timezone.utc).isoformat() if label_status == "labeled": provenance = { "method": "automatic", "automatic_method": "per-experiment-median-zmin, threshold = 1.5x median", "n_frames_total": n_frames, "n_frames_auto_labeled": n_frames - n_unmapped, "n_frames_unmapped": n_unmapped, "n_frames_human_verified": 0, "n_keyhole": n_keyhole, "n_conduction": n_conduction, "n_initial_emptiness": n_ie, "median_zmin_m": median_zmin, "keyhole_threshold_m": KEYHOLE_RATIO * median_zmin, "n_monitor_rows_total": len(rows), "n_monitor_rows_ie": n_ie_rows, "n_monitor_rows_valid": n_valid_rows, "labeler_id": None, "labeled_at": now, "tool_version": SCRIPT_VERSION, } else: provenance = { "method": "excluded", "automatic_method": "per-experiment-median-zmin, threshold = 1.5x median", "n_frames_total": n_frames, "n_frames_auto_labeled": 0, "n_frames_human_verified": 0, "exclusion_reason": exclusion_reason, "n_monitor_rows_total": len(rows), "n_monitor_rows_ie": n_ie_rows, "n_monitor_rows_valid": n_valid_rows, "labeler_id": None, "labeled_at": now, "tool_version": SCRIPT_VERSION, } with open(dst / "labeling_provenance.json", "w") as f: json.dump(provenance, f, indent=2) return { "sim_id": sim_id, "src_name": src.name, "dst_name": dst.name, "n_frames": n_frames, "n_unmapped": n_unmapped, "label_status": label_status, "exclusion_reason": exclusion_reason, "median_zmin": median_zmin, "n_keyhole": n_keyhole, "n_conduction": n_conduction, "n_initial_emptiness": n_ie, } # ---- Driver ---------------------------------------------------------------- def main(): ap = argparse.ArgumentParser(description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter) ap.add_argument("source", type=Path, help="Source path. In --mode single: a single P-...VX-... folder. " "In --mode set: a parent directory containing many P-...VX-... folders.") ap.add_argument("dest", type=Path, help="Destination path. In --mode single: dest folder for sim_NNNNN/. " "In --mode set: parent directory; sim_NNNNN/ folders will be created here.") ap.add_argument("--mode", choices=["single", "set"], required=True, help="single: process one experiment folder. " "set: iterate over all P-* folders in source.") ap.add_argument("--start", type=int, default=1, help="Starting sim number (default: 1)") ap.add_argument("--prefix", default="P-", help="Source folder prefix to match in --mode set (default: 'P-')") args = ap.parse_args() src_root = args.source.resolve() dst_root = args.dest.resolve() if not src_root.is_dir(): sys.exit(f"ERROR: source not found: {src_root}") if args.mode == "single": if not src_root.name.startswith(args.prefix): sys.exit(f"ERROR: --mode single expects a folder whose name starts with " f"'{args.prefix}'. Got: {src_root.name}") raw = [src_root] print(f"Single-experiment mode: {src_root.name}") else: # set if src_root.name.startswith(args.prefix): sys.exit(f"ERROR: --mode set expects a parent directory, but you pointed at " f"a single experiment folder ({src_root.name}). " f"Either use --mode single, or pass the parent directory.") raw = sorted(p for p in src_root.iterdir() if p.is_dir() and p.name.startswith(args.prefix)) if not raw: sys.exit(f"ERROR: no '{args.prefix}*/' folders found in {src_root}") print(f"Batch mode: {len(raw)} raw experiments in {src_root}") dst_root.mkdir(parents=True, exist_ok=True) print(f"Output: {dst_root}\n") results = [] for i, src_folder in enumerate(raw): sim_id = args.start + i sim_name = f"sim_{sim_id:05d}" dst_folder = dst_root / sim_name if dst_folder.exists(): print(f" [SKIP] {sim_name}: destination already exists") continue try: r = process_one(src_folder, dst_folder, sim_id) except Exception as e: print(f" [ERROR] {sim_name}: {type(e).__name__}: {e}") traceback.print_exc() if dst_folder.exists(): shutil.rmtree(dst_folder) continue results.append(r) if "fatal_error" in r: print(f" [FATAL] {sim_name}: {r['fatal_error']}") if dst_folder.exists(): shutil.rmtree(dst_folder) elif r["label_status"] == "excluded": print(f" [EXCL] {sim_name}: {r['exclusion_reason']}") else: unmap_note = f" (UNMAPPED: {r.get('n_unmapped', 0)})" if r.get('n_unmapped', 0) else "" print(f" [OK] {sim_name}: {r['n_frames']:4d} frames | " f"K={r['n_keyhole']:4d} C={r['n_conduction']:4d} IE={r['n_initial_emptiness']:3d} | " f"median_zmin={r['median_zmin']:.3e} m{unmap_note}") # Summary n_ok = sum(1 for r in results if r.get("label_status") == "labeled") n_exc = sum(1 for r in results if r.get("label_status") == "excluded") n_fatal = sum(1 for r in results if "fatal_error" in r) tot_K = sum(r.get("n_keyhole", 0) for r in results) tot_C = sum(r.get("n_conduction", 0) for r in results) tot_IE = sum(r.get("n_initial_emptiness", 0) for r in results) tot_frames = tot_K + tot_C + tot_IE print("\n" + "=" * 70) print("SUMMARY") print("=" * 70) print(f"Experiments: {len(results)}") print(f" labeled: {n_ok}") print(f" excluded: {n_exc}") if n_fatal: print(f" fatal errors: {n_fatal}") print(f"\nLabeled frames: {tot_frames}") print(f" Keyhole: {tot_K}") print(f" Conduction: {tot_C}") print(f" Initial Emptiness: {tot_IE}") if __name__ == "__main__": main()