#!/usr/bin/env python3 """Derive displacement-peak snapshots from the released 17-state trajectories.""" from __future__ import annotations import argparse import csv import json import shutil from pathlib import Path import torch from load_case import canonical_case_id, canonical_geometry, load_case, load_split def select_peak(data: dict) -> tuple[int, int, torch.Tensor, torch.Tensor]: displacement = data["disp"].to(torch.float32) stress = data["effective_stress"].to(torch.float32) valid = data["valid_node_mask"].to(torch.bool) if displacement.ndim != 3 or displacement.shape[1:] != (17, 3): raise ValueError(f"invalid displacement shape: {tuple(displacement.shape)}") if stress.ndim != 2 or stress.shape[1] != 17: raise ValueError(f"invalid effective-stress shape: {tuple(stress.shape)}") magnitude = torch.linalg.vector_norm(displacement, dim=-1) magnitude = magnitude.masked_fill(~valid[:, None], float("-inf")) flat_index = int(torch.argmax(magnitude).item()) time_index = flat_index % displacement.shape[1] node_index = flat_index // displacement.shape[1] return ( time_index, node_index, displacement[:, time_index, :].contiguous(), stress[:, time_index].contiguous(), ) def main() -> None: parser = argparse.ArgumentParser(description=__doc__) parser.add_argument("--dataset-root", type=Path, default=Path(".")) parser.add_argument("--geometry", required=True) parser.add_argument("--output-root", type=Path, required=True) parser.add_argument( "--cases", nargs="*", help="Optional case identifiers; default is all 500 cases.", ) args = parser.parse_args() geometry = canonical_geometry(args.geometry) case_ids = ( [canonical_case_id(case) for case in args.cases] if args.cases else [f"case{index:03d}" for index in range(1, 501)] ) output_cases = args.output_root / "cases" output_cases.mkdir(parents=True, exist_ok=True) rows = [] for offset, case_id in enumerate(case_ids, start=1): data = load_case(args.dataset_root, geometry, case_id) time_index, node_index, displacement, stress = select_peak(data) peak = { "case": case_id, "selected_time_index": torch.tensor(time_index, dtype=torch.int64), "selected_time": data["time"][time_index].to(torch.float32), "disp_peak_value": torch.linalg.vector_norm( displacement[node_index] ).to(torch.float32), "disp_peak_node_index": torch.tensor(node_index, dtype=torch.int64), "disp": displacement, "element_results": {"effective_stress": stress}, } for key in ( "impact_xyz", "velocity_xyz", "mass_ratio", "material_young_mpa", "material_poisson", "boundary_mask", "valid_node_mask", ): peak[key] = data[key] torch.save(peak, output_cases / f"{case_id}.pt") rows.append( { "case": case_id, "selected_time_index": time_index, "selected_time": float(data["time"][time_index]), "disp_peak_node_index": node_index, "disp_peak_value": float(peak["disp_peak_value"]), } ) if offset % 50 == 0 or offset == len(case_ids): print(f"[{geometry}] derived {offset}/{len(case_ids)}") with (args.output_root / "disp_peak_summary.csv").open( "w", encoding="utf-8", newline="" ) as handle: writer = csv.DictWriter(handle, fieldnames=list(rows[0])) writer.writeheader() writer.writerows(rows) split = load_split(args.dataset_root) (args.output_root / "split_400_50_50_seed12345.json").write_text( json.dumps(split, indent=2) + "\n", encoding="utf-8" ) source_mesh = ( args.dataset_root / "meshes" / f"{geometry}_mesh.npz" ) shutil.copy2(source_mesh, args.output_root / "mesh.npz") if __name__ == "__main__": main()