#!/usr/bin/env python3 """ Generate all views for every unprocessed simulation case. W (the adaptive crop half-width) is derived directly from the laser spot radius in the prepin file — no temperature scan needed. Single pass over source timesteps produces: • top-down 2D projection (50×50, 1 mm × 1 mm) per field • adaptive-crop 3D volume (Z×W×W) per field Outputs written to views//: metadata.json simulation parameters + per-field stats cropped.npz all fields (N, Z, W, W), timestep, power, velocity, window_cells /top_down.gif matplotlib 2D animation (1 mm × 1 mm) /cropped.gif PyVista 3D volume render animation Cases that already have cropped.npz are skipped automatically. Use --workers to control parallelism (default: cpu_count // 2). """ import argparse import json import multiprocessing import re import shutil import zipfile from pathlib import Path from typing import NamedTuple import imageio import matplotlib.animation as animation import matplotlib.pyplot as plt import numpy as np import pyvista as pv from tqdm import tqdm # ── Domain constants (CGS: cm) ──────────────────────────────────────────────── CELL_SIZE_CM = 0.002 TOP_DOWN_HALF = 25 # fixed 1 mm window → 50 cells → ±25 LIQUIDUS_K = 1697.15 T_AMBIENT = 299.15 BUFFER_CELLS = 5 # Ghost cell counts added by FLOW-3D at array boundaries GHOST_Z = 2 GHOST_Y = 1 GHOST_X = 1 # ── Field configuration ─────────────────────────────────────────────────────── class Field(NamedTuple): name: str label: str cmap: str project: str # "max" or "sum" along Z for 2-D top-down vmin_fixed: float | None vmax_pct: float = 99.9 vmin_pct: float = 0.0 sparse: bool = False # percentile over nonzero cells only FIELDS = [ Field("temperature", "Temperature (K)", "inferno", "max", T_AMBIENT), Field("fraction_of_fluid", "Fluid depth (cells)", "Blues", "sum", None, 99.9, 1.0), Field("liquid_label", "Liquid region", "plasma", "max", 0.0, 100.0), Field("melt_region", "Melt region", "hot", "max", 0.0, 99.9, 0.0, sparse=True), Field("pressure", "Pressure (dyne/cm²)", "RdBu_r", "max", None, 99.9, 0.1), Field("velocity_magnitude", "Velocity magnitude (cm/s)", "viridis", "max", 0.0, 99.9, 0.0, sparse=True), Field("temperature_gradient", "Temperature gradient (raw)", "magma", "max", 0.0, 99.9, 0.0, sparse=True), Field("gradient_magnitude", "|∇T| from components (K/cm)", "magma", "max", 0.0, 99.9, 0.0, sparse=True), ] FIELD_MAP = {f.name: f for f in FIELDS} # ── Prepin parsing ──────────────────────────────────────────────────────────── def find_prepin(case_dir: Path) -> Path: matches = list(case_dir.glob("prepin.*")) if not matches: raise FileNotFoundError(f"No prepin file in {case_dir}") return matches[0] def parse_prepin(text: str) -> dict: def f(pat): return float(re.search(pat, text).group(1)) power_raw = f(r"powlbm\(1,1\)\s*=\s*([\d.eE+-]+)") return { "px1": f(r"px\(1\)\s*=\s*([\d.eE+-]+)"), # cm, mesh X start "py1": f(r"py\(1\)\s*=\s*([\d.eE+-]+)"), # cm, mesh Y start "xb0": f(r"xb0lbm\(1\)\s*=\s*([\d.eE+-]+)"), # cm "yb0": f(r"yb0lbm\(1\)\s*=\s*([\d.eE+-]+)"), # cm "velocity_cms":f(r"utlbm\(1,1\)\s*=\s*([\d.eE+-]+)"), # cm/s "spot_radius": f(r"rflbm\(1\)\s*=\s*([\d.eE+-]+)"), # cm "gauss_radius":f(r"rblbm\(1\)\s*=\s*([\d.eE+-]+)"), # cm "power_w": round(power_raw / 1e7), "t_liquidus": f(r"tl1\s*=\s*([\d.eE+-]+)"), "t_solidus": f(r"ts1\s*=\s*([\d.eE+-]+)"), "t_finish": f(r"twfin\s*=\s*([\d.eE+-]+)"), } def beam_x_index(t: float, pp: dict) -> int: """Beam X index relative to the mesh origin (px1).""" x_abs = pp["xb0"] + pp["velocity_cms"] * t return round((x_abs - pp["px1"] - CELL_SIZE_CM / 2) / CELL_SIZE_CM) def domain_from_raw(raw: dict, pp: dict) -> tuple[int, int, int, int]: """Return (nz, ny, nx, y_center) from the first npz array and prepin. FLOW-3D appends ghost cells at the end of each axis: Z: +2, Y: +1, X: +1 y_center is the beam Y position as a cell index within the mesh. """ shape = raw["temperature"].shape # (1, nz+2, ny+1, nx+1) nz = shape[1] - GHOST_Z ny = shape[2] - GHOST_Y nx = shape[3] - GHOST_X y_center = round((pp["yb0"] - pp["py1"]) / CELL_SIZE_CM) return nz, ny, nx, y_center def crop_half_from_prepin(spot_radius_cm: float) -> int: """Derive the crop half-width from the laser spot radius. Uses 4× the spot radius as a conservative bound for the melt pool half-width in Y, then adds the safety buffer. """ return int(np.ceil(spot_radius_cm / CELL_SIZE_CM * 4)) + BUFFER_CELLS # ── Cropping helpers ────────────────────────────────────────────────────────── def _crop_params(center: int, half: int, size: int) -> tuple[int, int, int, int]: """Compute (lo, hi, pad_left, pad_right) for a centered crop of width 2*half. Always guarantees (hi - lo) + pad_left + pad_right == 2 * half, even when the window is partially or fully outside [0, size). """ lo = center - half hi = center + half pl = max(0, -lo); lo = max(0, lo) pr = max(0, hi - size); hi = min(size, hi) lo = min(lo, hi) # clamp when window is past the end pr = 2 * half - pl - (hi - lo) # ensure exact output width return lo, hi, pl, pr def top_down_2d(proj: np.ndarray, beam_x: int, y_center: int) -> np.ndarray: """(Y, X) → (TOP_DOWN_HALF*2, TOP_DOWN_HALF*2) fixed 1 mm × 1 mm window.""" # X axis: follow the beam xlo, xhi, xpl, xpr = _crop_params(beam_x, TOP_DOWN_HALF, proj.shape[1]) w = proj[:, xlo:xhi] if xpl or xpr: w = np.pad(w, ((0, 0), (xpl, xpr)), constant_values=0.0) # Y axis: centered on beam y position ylo, yhi, ypt, ypb = _crop_params(y_center, TOP_DOWN_HALF, w.shape[0]) w = w[ylo:yhi, :] if ypt or ypb: w = np.pad(w, ((ypt, ypb), (0, 0)), constant_values=0.0) return w def crop_3d(arr: np.ndarray, beam_x: int, half: int, y_center: int, pad_val: float = 0.0) -> np.ndarray: """(Z, Y, X[, C]) → (Z, W, W[, C]) adaptive square window.""" xlo, xhi, xpl, xpr = _crop_params(beam_x, half, arr.shape[2]) ylo, yhi, ypt, ypb = _crop_params(y_center, half, arr.shape[1]) w = arr[:, ylo:yhi, xlo:xhi] if xpl or xpr or ypt or ypb: pad = ((0,0),(ypt,ypb),(xpl,xpr)) if arr.ndim == 3 \ else ((0,0),(ypt,ypb),(xpl,xpr),(0,0)) w = np.pad(w, pad, constant_values=pad_val) return w # ── Per-timestep extraction ─────────────────────────────────────────────────── def extract( raw: dict, beam_x: int, crop_half: int, nz: int, ny: int, nx: int, y_center: int, ) -> tuple[dict, dict]: """Return (top_down, cropped) dicts from one loaded npz. top_down[field] : (TOP_DOWN_HALF*2, TOP_DOWN_HALF*2) cropped[field] : (nz, W, W) scalars cropped['vx_vy_vz'] : (nz, W, W, 3) cropped['dtdx_dtdy_dtdz']: (nz, W, W, 3) """ def slc(k): return raw[k][0, :nz, :ny, :nx] def proj(arr, method): return arr.max(axis=0) if method == "max" else arr.sum(axis=0) td, cr = {}, {} for name, method in [ ("temperature", "max"), ("fraction_of_fluid", "sum"), ("liquid_label", "max"), ("melt_region", "max"), ("pressure", "max"), ("temperature_gradient", "max"), ]: arr = slc(name) pad = T_AMBIENT if name == "temperature" else 0.0 td[name] = top_down_2d(proj(arr, method), beam_x, y_center) cr[name] = crop_3d(arr, beam_x, crop_half, y_center, pad_val=pad) vel = slc("vx_vy_vz") vmag = np.linalg.norm(vel, axis=-1) td["velocity_magnitude"] = top_down_2d(proj(vmag, "max"), beam_x, y_center) cr["velocity_magnitude"] = crop_3d(vmag, beam_x, crop_half, y_center) cr["vx_vy_vz"] = crop_3d(vel, beam_x, crop_half, y_center) grad = slc("dtdx_dtdy_dtdz") gmag = np.linalg.norm(grad, axis=-1) td["gradient_magnitude"] = top_down_2d(proj(gmag, "max"), beam_x, y_center) cr["gradient_magnitude"] = crop_3d(gmag, beam_x, crop_half, y_center) cr["dtdx_dtdy_dtdz"] = crop_3d(grad, beam_x, crop_half, y_center) return td, cr # ── GIF: top-down (matplotlib) ──────────────────────────────────────────────── def make_top_down_gif( frames: np.ndarray, field: Field, case_name: str, out_path: Path, fps: int, max_frames: int, ) -> None: stride = max(1, len(frames) // max_frames) gf = frames[::stride] src = gf[gf > 0] if field.sparse else gf vmax = float(np.percentile(src if src.size else gf, field.vmax_pct)) vmin = field.vmin_fixed if field.vmin_fixed is not None \ else float(np.percentile(src if src.size else gf, field.vmin_pct)) fig, ax = plt.subplots(figsize=(5, 5)) im = ax.imshow(gf[0], origin="lower", cmap=field.cmap, vmin=vmin, vmax=vmax, extent=[0, 1, 0, 1]) ax.set_xlabel("X (mm)"); ax.set_ylabel("Y (mm)") ax.set_title(f"{case_name}\n{field.label}") plt.colorbar(im, ax=ax, label=field.label) plt.tight_layout() def _update(i): im.set_data(gf[i]) return [im] anim = animation.FuncAnimation(fig, _update, frames=len(gf), interval=1000 // fps, blit=True) anim.save(out_path, writer="pillow", fps=fps) plt.close() # ── GIF: cropped 3D volume (PyVista) ───────────────────────────────────────── def _render_pyvista(vol: np.ndarray, cmap: str, opacity, vmin: float, vmax: float) -> np.ndarray: nz, ny, nx = vol.shape grid = pv.ImageData(dimensions=(nx, ny, nz), spacing=(CELL_SIZE_CM,) * 3) grid.point_data["v"] = vol.transpose(2, 1, 0).ravel(order="F") pl = pv.Plotter(off_screen=True, window_size=[600, 500]) pl.set_background("black") pl.add_volume(grid, scalars="v", cmap=cmap, opacity=opacity, clim=[vmin, vmax], show_scalar_bar=False) pl.camera_position = "iso" img = pl.screenshot(return_img=True) pl.close() return img def make_cropped_gif( frames: np.ndarray, field: Field, out_path: Path, fps: int, max_frames: int, ) -> None: stride = max(1, len(frames) // max_frames) gf = frames[::stride] src = frames[frames > 0] if field.sparse else frames if src.size == 0: return vmax = float(np.percentile(src, field.vmax_pct)) vmin = field.vmin_fixed if field.vmin_fixed is not None \ else float(np.percentile(src, field.vmin_pct)) # For temperature: fade in above liquidus; others: standard sigmoid if field.name == "temperature": opacity = [0.0, 0.0, 0.05, 0.3, 0.8, 1.0] else: opacity = field.cmap # reuse cmap name as opacity preset string opacity = "sigmoid" rendered = [_render_pyvista(f, field.cmap, opacity, vmin, vmax) for f in gf] imageio.mimsave(str(out_path), rendered, fps=fps, loop=0) # ── Metadata ────────────────────────────────────────────────────────────────── def build_metadata( case_name: str, pp: dict, npz_files: list[Path], W: int, nz: int, ny: int, nx: int, crop_data: dict[str, np.ndarray], timesteps: np.ndarray, ) -> dict: vel_mps = pp["velocity_cms"] / 100.0 meta: dict = { "case_id": case_name, "simulation": { "power_w": pp["power_w"], "velocity_mps": vel_mps, "angle_deg": int(re.search(r"A(\d+)deg", case_name).group(1)), "finish_time_s": pp["t_finish"], "n_timesteps": len(timesteps), "t_start_s": float(timesteps[0]), "t_end_s": float(timesteps[-1]), }, "laser": { "spot_radius_cm": pp["spot_radius"], "gauss_radius_cm": pp["gauss_radius"], "beam_start_x_cm": pp["xb0"], "beam_start_y_cm": pp["yb0"], }, "material": { "name": "316L Stainless Steel", "t_liquidus_k": pp["t_liquidus"], "t_solidus_k": pp["t_solidus"], "t_ambient_k": T_AMBIENT, }, "domain": { "cell_size_um": CELL_SIZE_CM * 1e4, "nx": nx, "ny": ny, "nz": nz, "x_mm": nx * CELL_SIZE_CM * 10, "y_mm": ny * CELL_SIZE_CM * 10, "z_mm": nz * CELL_SIZE_CM * 10, }, "windows": { "top_down_cells": TOP_DOWN_HALF * 2, "top_down_mm": TOP_DOWN_HALF * 2 * CELL_SIZE_CM * 10, "crop_cells": W, "crop_mm": W * CELL_SIZE_CM * 10, "crop_z_cells": nz, "crop_z_mm": nz * CELL_SIZE_CM * 10, }, "fields": {}, } for field in FIELDS: key = field.name if key not in crop_data: continue arr = crop_data[key] nz_vals = arr[arr != 0] if field.sparse else arr meta["fields"][key] = { "shape": list(arr.shape), "min": float(arr.min()), "max": float(arr.max()), "mean": float(np.mean(nz_vals)) if nz_vals.size else 0.0, "std": float(np.std(nz_vals)) if nz_vals.size else 0.0, "p99": float(np.percentile(nz_vals, 99)) if nz_vals.size else 0.0, } return meta # ── Per-case worker ─────────────────────────────────────────────────────────── def process_case(args: tuple) -> str: """Process one case. Runs in a worker process. Returns case name on completion.""" import os case_name, root, gif_fps, gif_max_frames = args # Redirect stderr → /dev/null in this worker to suppress EGL/libEGL/VTK noise. # Worker processes are isolated, so this doesn't affect the main process. # Python-level exceptions still propagate back via the pool mechanism. _devnull = os.open(os.devnull, os.O_WRONLY) os.dup2(_devnull, 2) os.close(_devnull) # Each worker process needs its own OFF_SCREEN flag pv.OFF_SCREEN = True try: import vtk vtk.vtkObject.GlobalWarningDisplayOff() except Exception: pass case_dir = root / "source" / case_name npz_dir = case_dir / "flslnk_npz" out_dir = root / "views" / case_name out_dir.mkdir(parents=True, exist_ok=True) # ── unzip flslnk_npz.zip if not already extracted ───────────────────────── zip_path = case_dir / "flslnk_npz.zip" unzipped = False if not npz_dir.exists(): if not zip_path.exists(): raise FileNotFoundError(f"Neither flslnk_npz/ nor flslnk_npz.zip found in {case_dir}") npz_dir.mkdir() with zipfile.ZipFile(zip_path) as zf: zf.extractall(npz_dir) unzipped = True pp = parse_prepin(find_prepin(case_dir).read_text()) npz_files = sorted(npz_dir.glob("*.npz")) crop_half = crop_half_from_prepin(pp["spot_radius"]) W = crop_half * 2 # ── determine domain dimensions from first readable timestep ───────────── nz = ny = nx = y_center = None for _f in npz_files: try: first_raw = np.load(_f) nz, ny, nx, y_center = domain_from_raw(first_raw, pp) break except (EOFError, Exception): continue if nz is None: raise RuntimeError(f"No readable NPZ files found for {case_name}") # ── extraction ──────────────────────────────────────────────────────────── td_acc: dict[str, list] = {} crop_acc: dict[str, list] = {} timesteps: list[float] = [] n_skipped = 0 for npz_path in tqdm(npz_files, desc=case_name, leave=False, position=1): try: raw = np.load(npz_path) t = float(raw["timestep"][0]) except (EOFError, Exception): n_skipped += 1 continue bx = beam_x_index(t, pp) td, cr = extract(raw, bx, crop_half, nz, ny, nx, y_center) for k, v in td.items(): td_acc.setdefault(k, []).append(v) for k, v in cr.items(): crop_acc.setdefault(k, []).append(v) timesteps.append(t) if n_skipped: tqdm.write(f" ! {case_name}: skipped {n_skipped} corrupt NPZ files") ts = np.array(timesteps, dtype=np.float64) crop_arrays = {k: np.array(v, dtype=np.float32) for k, v in crop_acc.items()} # ── cropped.npz ─────────────────────────────────────────────────────────── np.savez_compressed(out_dir / "cropped.npz", **{ "timestep": ts, "power": np.array([pp["power_w"]], dtype=np.int32), "velocity": np.array([pp["velocity_cms"] / 100.0], dtype=np.float64), "window_cells": np.array([W], dtype=np.int32), **crop_arrays, }) # ── delete extracted npz folder if we unzipped it ──────────────────────── if unzipped: shutil.rmtree(npz_dir) # ── metadata.json ───────────────────────────────────────────────────────── meta = build_metadata(case_name, pp, npz_files, W, nz, ny, nx, crop_arrays, ts) with open(out_dir / "metadata.json", "w") as f: json.dump(meta, f, indent=2) # ── GIFs ────────────────────────────────────────────────────────────────── for field in tqdm(FIELDS, desc=f"{case_name} GIFs", leave=False, position=1): fd = out_dir / field.name fd.mkdir(exist_ok=True) make_top_down_gif( np.array(td_acc[field.name], dtype=np.float32), field, case_name, fd / "top_down.gif", gif_fps, gif_max_frames, ) make_cropped_gif( np.array(crop_acc[field.name], dtype=np.float32), field, fd / "cropped.gif", gif_fps, gif_max_frames, ) return case_name # ── Main ────────────────────────────────────────────────────────────────────── def main() -> None: parser = argparse.ArgumentParser( description="Generate all views for every unprocessed simulation case." ) parser.add_argument( "cases", nargs="*", help="Case folder names under source/ (default: all unprocessed)", ) parser.add_argument("--gif-fps", type=int, default=20) parser.add_argument("--gif-max-frames", type=int, default=200) parser.add_argument( "--workers", type=int, default=max(1, multiprocessing.cpu_count() // 2), help="Parallel worker processes (default: cpu_count // 2)", ) args = parser.parse_args() root = Path(__file__).parent.parent # Resolve case list — explicit args or all source folders with flslnk_npz/ if args.cases: candidates = [root / "source" / c for c in args.cases] else: candidates = sorted((root / "source").iterdir()) # Filter to valid, unprocessed cases todo = [] for case_dir in candidates: npz_dir = case_dir / "flslnk_npz" zip_path = case_dir / "flslnk_npz.zip" cropped = root / "views" / case_dir.name / "cropped.npz" if not npz_dir.exists() and not zip_path.exists(): print(f" skip {case_dir.name} — no flslnk_npz/ or flslnk_npz.zip") continue if cropped.exists(): print(f" skip {case_dir.name} — already done") continue todo.append(case_dir.name) if not todo: print("Nothing to do.") return print(f"\nProcessing {len(todo)} cases with {args.workers} workers\n") worker_args = [(c, root, args.gif_fps, args.gif_max_frames) for c in todo] with multiprocessing.Pool(args.workers) as pool: for done in tqdm( pool.imap_unordered(process_case, worker_args), total=len(todo), desc="Cases", position=0, ): tqdm.write(f" ✓ {done}") if __name__ == "__main__": multiprocessing.set_start_method("spawn", force=True) main()