diff --git a/.gitignore b/.gitignore index e2ed15e947eb6a267163d72bbc80b9ab58242d45..e9fa130ea3bc007c0ba1794d76b0a7704c234c5a 100644 --- a/.gitignore +++ b/.gitignore @@ -5,6 +5,9 @@ *.log runhyd.txt +# Extracted NPZ folders (transient; created and deleted during processing) +flslnk_npz/ + # Flow3D binary simulation outputs (content already archived in flsgrf.zip / flslnk_npz.zip) hd3out.* hd3msg.* diff --git a/pyproject.toml b/pyproject.toml index df6d8309dbd97f824f36d4f6785ee92e6b85379b..c20ef70a9c895f021fe57039b39ca72272b00e45 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,4 +6,9 @@ readme = "README.md" requires-python = ">=3.14" dependencies = [ "hf>=1.10.2", + "imageio>=2.37.3", + "matplotlib>=3.10.8", + "numpy>=2.4.4", + "pyvista>=0.47.3", + "tqdm>=4.67.3", ] diff --git a/scripts/01_generate_views.py b/scripts/01_generate_views.py new file mode 100644 index 0000000000000000000000000000000000000000..96a3e6b2302f0d3b4864d61be7e0a41f84607fd6 --- /dev/null +++ b/scripts/01_generate_views.py @@ -0,0 +1,545 @@ +#!/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() diff --git a/uv.lock b/uv.lock index fdf32ea9755c1eb8e372a756e9d1feec49ba9218..f30ac28017f13a31b0dd3ef29e01a28e5288b7ef 100644 --- a/uv.lock +++ b/uv.lock @@ -8,10 +8,22 @@ version = "0.1.0" source = { virtual = "." } dependencies = [ { name = "hf" }, + { name = "imageio" }, + { name = "matplotlib" }, + { name = "numpy" }, + { name = "pyvista" }, + { name = "tqdm" }, ] [package.metadata] -requires-dist = [{ name = "hf", specifier = ">=1.10.2" }] +requires-dist = [ + { name = "hf", specifier = ">=1.10.2" }, + { name = "imageio", specifier = ">=2.37.3" }, + { name = "matplotlib", specifier = ">=3.10.8" }, + { name = "numpy", specifier = ">=2.4.4" }, + { name = "pyvista", specifier = ">=0.47.3" }, + { name = "tqdm", specifier = ">=4.67.3" }, +] [[package]] name = "annotated-doc" @@ -34,6 +46,15 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/da/42/e921fccf5015463e32a3cf6ee7f980a6ed0f395ceeaa45060b61d86486c2/anyio-4.13.0-py3-none-any.whl", hash = "sha256:08b310f9e24a9594186fd75b4f73f4a4152069e3853f1ed8bfbf58369f4ad708", size = 114353, upload-time = "2026-03-24T12:59:08.246Z" }, ] +[[package]] +name = "attrs" +version = "26.1.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = 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