"""Resumable T4 v1 structural-dynamics campaign built on the validated pilot.""" from __future__ import annotations import argparse from copy import deepcopy import json import os from pathlib import Path import shutil import tempfile from time import perf_counter import h5py import numpy as np from scipy.stats import qmc try: from .t4_structural_dynamics import ( ROOT, analytical_first_frequency, read_field_history, run_trajectory, solve_modes, ) except ImportError: # Direct script execution. from t4_structural_dynamics import ( ROOT, analytical_first_frequency, read_field_history, run_trajectory, solve_modes, ) CONFIG_PATH = ROOT / "configs" / "t4_structural_dynamics_v1.json" DATA_DIR = ROOT / "data" / "t4_structural_dynamics_v1" CASE_DIR = DATA_DIR / "cases" REPRESENTATIVE_DIR = DATA_DIR / "representative_fields" PARAMETERS = ( "length_m", "height_m", "young_pa", "density_kg_m3", "damping_ratio", "traction_amplitude_pa", ) def load_config(path: Path = CONFIG_PATH) -> dict: return json.loads(path.read_text(encoding="utf-8")) def _map_ranges(unit: np.ndarray, ranges: dict) -> dict[str, float]: return { name: float(ranges[name][0] + unit[index] * (ranges[name][1] - ranges[name][0])) for index, name in enumerate(PARAMETERS) } def configuration_design(config: dict | None = None) -> list[dict]: selected = load_config() if config is None else config count = int(selected["configuration_count"]) if count != 128: raise ValueError("The frozen v1 Sobol design requires 128 configurations.") unit = qmc.Sobol(d=len(PARAMETERS), scramble=True, seed=int(selected["seed"])).random_base2(7) interior = selected["interior_parameter_ranges"] full = selected["full_parameter_ranges"] rows: list[dict] = [] for index in range(count): parameters = _map_ranges(unit[index], interior) if index < 96: split, role = "train", "id" elif index < 112: split, role = "validation", "id" elif index < 120: split, role = "test", "id" elif index < 124: split, role = "test", "excitation_ood" else: split, role = "test", "parameter_ood" # The four parameter-OOD cases jointly cover all six physical inputs. if index == 124: parameters["length_m"] = full["length_m"][0] parameters["damping_ratio"] = full["damping_ratio"][1] elif index == 125: parameters["height_m"] = full["height_m"][0] parameters["young_pa"] = full["young_pa"][0] elif index == 126: parameters["length_m"] = full["length_m"][1] parameters["density_kg_m3"] = full["density_kg_m3"][1] elif index == 127: parameters["height_m"] = full["height_m"][1] parameters["traction_amplitude_pa"] = full["traction_amplitude_pa"][1] if role == "excitation_ood": sub_factor = 0.35 + 0.15 * unit[index, 0] near_factor = 1.20 + 0.20 * unit[index, 1] chirp_start = 0.25 + 0.10 * unit[index, 2] chirp_end = 2.40 + 0.20 * unit[index, 3] else: sub_factor = 0.65 + 0.20 * unit[index, 0] near_factor = 0.90 + 0.20 * unit[index, 1] chirp_start = 0.40 + 0.20 * unit[index, 2] chirp_end = 1.80 + 0.40 * unit[index, 3] rows.append( { "configuration_id": index, "case_id": f"config_{index:04d}", "split": split, "protocol_role": role, "parameters": parameters, "excitations": [ {"name": "half_sine_pulse", "kind": "half_sine_pulse"}, {"name": "sub_resonant_sine", "kind": "sine", "frequency_factor": sub_factor}, {"name": "near_resonant_sine", "kind": "sine", "frequency_factor": near_factor}, { "name": "chirp", "kind": "chirp", "start_frequency_factor": chirp_start, "end_frequency_factor": chirp_end, }, ], } ) return rows def case_config(global_config: dict, row: dict) -> dict: parameters = row["parameters"] length = float(parameters["length_m"]) height = float(parameters["height_m"]) return { "dataset": global_config["dataset"], "seed": global_config["seed"], "software": global_config["software"], "geometry": { **global_config["geometry"], "length_m": length, "height_m": height, }, "material": { **global_config["fixed_material"], "young_pa": float(parameters["young_pa"]), "density_kg_m3": float(parameters["density_kg_m3"]), }, "dynamics": { **global_config["dynamics"], "target_damping_ratio": float(parameters["damping_ratio"]), "traction_amplitude_pa": float(parameters["traction_amplitude_pa"]), }, "sensors": [[fraction * length, 0.5 * height] for fraction in (0.2, 0.4, 0.6, 0.8, 1.0)], "excitations": deepcopy(row["excitations"]), } def write_design(config: dict, rows: list[dict]) -> None: DATA_DIR.mkdir(parents=True, exist_ok=True) payload = { "schema": "agentfem.physics-data.structural-dynamics-v1-design", "schema_version": "1.0.0", "config": config, "configurations": rows, } temporary = DATA_DIR / "design.json.tmp" temporary.write_text(json.dumps(payload, indent=2, sort_keys=True) + "\n", encoding="utf-8") os.replace(temporary, DATA_DIR / "design.json") temporary = DATA_DIR / "design.jsonl.tmp" temporary.write_text( "".join(json.dumps(row, sort_keys=True) + "\n" for row in rows), encoding="utf-8", ) os.replace(temporary, DATA_DIR / "design.jsonl") def valid_case_file(path: Path) -> bool: if not path.is_file(): return False try: with h5py.File(path, "r") as h5: return ( h5.attrs.get("schema") == "agentfem.physics-data.structural-dynamics-v1-case" and h5.attrs.get("schema_version") == "1.1.0" and bool(h5.attrs.get("quality_passed", False)) and len(h5["trajectories"]) == 4 ) except OSError: return False def _write_case( path: Path, row: dict, config: dict, frequencies: np.ndarray, analytical: float, trajectories: list[dict], quality: dict, ) -> None: path.parent.mkdir(parents=True, exist_ok=True) temporary = path.with_suffix(".h5.tmp") with h5py.File(temporary, "w") as h5: h5.attrs["schema"] = "agentfem.physics-data.structural-dynamics-v1-case" h5.attrs["schema_version"] = "1.1.0" h5.attrs["generator_fix"] = "component-preserving-kinematic-bcs" h5.attrs["configuration_id"] = int(row["configuration_id"]) h5.attrs["case_id"] = row["case_id"] h5.attrs["split"] = row["split"] h5.attrs["protocol_role"] = row["protocol_role"] h5.attrs["quality_passed"] = bool(quality["passed"]) h5.attrs["config_json"] = json.dumps(config, sort_keys=True) h5.attrs["quality_json"] = json.dumps(quality, sort_keys=True) modal = h5.create_group("modal") modal.create_dataset("frequencies_hz", data=frequencies) modal.attrs["analytical_first_frequency_hz"] = analytical modal.attrs["first_frequency_relative_error"] = quality[ "first_frequency_relative_error" ] root = h5.create_group("trajectories") common_written = False for trajectory in trajectories: group = root.create_group(trajectory["name"]) group.attrs["spec_json"] = json.dumps(trajectory["spec"], sort_keys=True) for key in ( "dt_s", "steps", "rayleigh_mass_coefficient_per_s", "rayleigh_stiffness_coefficient_s", "wall_time_s", "dof_count", "kinematic_bc_scalar_dof_count", "energy_balance_reference_j_per_m", ): group.attrs[key] = trajectory[key] for key in ( "time_s", "force_scale", "sensor_displacement_m", "strain_energy_j_per_m", "kinetic_energy_j_per_m", "external_power_w_per_m", "damping_power_w_per_m", "external_work_j_per_m", "damping_dissipation_j_per_m", "energy_balance_residual_j_per_m", "energy_balance_relative_residual", ): group.create_dataset(key, data=trajectory[key], compression="gzip", shuffle=True) field = read_field_history(trajectory["field_hdf5"]) if not common_written: common = h5.create_group("common") common.create_dataset("reference_geometry_m", data=field["reference_geometry_m"]) common.create_dataset("topology", data=field["topology"]) common.create_dataset("sensor_coordinates_m", data=np.asarray(config["sensors"])) common_written = True field_group = group.create_group("fields") for key in ("time_s", "displacement_m", "velocity_m_per_s", "acceleration_m_per_s2"): field_group.create_dataset(key, data=field[key], compression="gzip", shuffle=True) os.replace(temporary, path) def run_case(global_config: dict, row: dict, *, force: bool = False) -> dict: path = CASE_DIR / f"{row['case_id']}.h5" if not force and valid_case_file(path): return {"case_id": row["case_id"], "status": "reused", "path": str(path)} config = case_config(global_config, row) started = perf_counter() modal_result = solve_modes(config, modes=4) frequencies = np.asarray(modal_result.quantity("frequencies"), dtype=float) analytical = analytical_first_frequency(config) frequency_error = float(abs(frequencies[0] - analytical) / analytical) with tempfile.TemporaryDirectory(prefix=f"t4_{row['case_id']}_", dir=DATA_DIR) as scratch: scratch_path = Path(scratch) trajectories = [ run_trajectory( config, spec, frequencies_hz=frequencies, output_dir=scratch_path, save_fields=True, ) for spec in config["excitations"] ] energy = { item["name"]: float(np.max(np.abs(item["energy_balance_relative_residual"]))) for item in trajectories } quality = { "first_frequency_relative_error": frequency_error, "maximum_energy_balance_relative_residual": max(energy.values()), "trajectory_energy_balance_relative_residual": energy, "all_finite": bool( all( np.all(np.isfinite(item["sensor_displacement_m"])) and np.all(np.isfinite(item["energy_balance_relative_residual"])) for item in trajectories ) ), } quality["gates"] = { "analytical_frequency": frequency_error <= float(global_config["quality"]["maximum_first_frequency_analytical_relative_error"]), "energy_balance": quality["maximum_energy_balance_relative_residual"] <= float(global_config["quality"]["maximum_energy_balance_relative_residual"]), "finite": quality["all_finite"], } quality["passed"] = bool(all(quality["gates"].values())) if not quality["passed"]: raise RuntimeError(f"Quality gate failed for {row['case_id']}: {quality}") _write_case(path, row, config, frequencies, analytical, trajectories, quality) if int(row["configuration_id"]) in set(global_config["storage"]["native_field_representatives"]): destination = REPRESENTATIVE_DIR / row["case_id"] destination.mkdir(parents=True, exist_ok=True) for item in trajectories: shutil.copy2(item["field_hdf5"], destination / Path(item["field_hdf5"]).name) shutil.copy2(item["field_xdmf"], destination / Path(item["field_xdmf"]).name) return { "case_id": row["case_id"], "status": "generated", "path": str(path), "wall_time_s": perf_counter() - started, "first_frequency_hz": float(frequencies[0]), "first_frequency_relative_error": frequency_error, "maximum_energy_balance_relative_residual": quality[ "maximum_energy_balance_relative_residual" ], "bytes": path.stat().st_size, } def main() -> None: parser = argparse.ArgumentParser() parser.add_argument("--config", type=Path, default=CONFIG_PATH) parser.add_argument("--start", type=int, default=0) parser.add_argument("--stop", type=int) parser.add_argument("--design-only", action="store_true") parser.add_argument("--skip-design-write", action="store_true") parser.add_argument("--force", action="store_true") args = parser.parse_args() config = load_config(args.config) rows = configuration_design(config) if not args.skip_design_write: write_design(config, rows) if args.design_only: print(json.dumps({"status": "design_written", "configuration_count": len(rows)}, indent=2)) return stop = len(rows) if args.stop is None else min(args.stop, len(rows)) for row in rows[max(0, args.start):stop]: print(json.dumps(run_case(config, row, force=args.force), sort_keys=True), flush=True) if __name__ == "__main__": main()