from __future__ import annotations import json from pathlib import Path from typing import Any import numpy as np HC_EV_NM = 1239.841984 METERS_PER_NM = 1e-9 def wavelength_nm_from_energy_ev(energy_ev: float) -> float: """ Convert photon energy to wavelength in nanometers. Parameters ---------- energy_ev : float Photon energy in eV. Returns ------- float Wavelength in nm. """ return HC_EV_NM / float(energy_ev) def lambda_to_nm( coord_lambda: float | np.ndarray, energy_ev: float, ) -> float | np.ndarray: """ Convert lambda-normalized coordinates to nanometers. Parameters ---------- coord_lambda : float or numpy.ndarray Coordinate value(s) in units of wavelength. energy_ev : float Photon energy in eV. Returns ------- float or numpy.ndarray Coordinate value(s) in nanometers. """ return np.asarray(coord_lambda, dtype=float) * wavelength_nm_from_energy_ev(energy_ev) def geometry_at_energy(path: str | Path, energy_ev: float) -> dict[str, Any]: """ Load geometry JSON and scale shape points to nanometers. Parameters ---------- path : str or Path Path to ``geometry.json``. energy_ev : float Photon energy in eV. Returns ------- dict Geometry manifest with points in nanometers. """ geometry = json.loads(Path(path).read_text(encoding="utf-8")) units = geometry.get("units", "lambda") if units == "nm": return geometry if units != "lambda": raise ValueError(f"Unsupported geometry units: {units!r}") wavelength_nm = wavelength_nm_from_energy_ev(energy_ev) for shape in geometry.get("shapes", []): points = np.asarray(shape["points"], dtype=float) shape["points"] = (points * wavelength_nm).tolist() geometry["units"] = "nm" geometry["energy_ev"] = energy_ev geometry["wavelength_nm"] = wavelength_nm return geometry def _grid_units_from_npz(data: np.lib.npyio.NpzFile) -> str: if "units" in data: return str(np.asarray(data["units"]).item()) return "m" def _coords_in_nm( *, x_grid: np.ndarray, y_grid: np.ndarray, units: str, energy_ev: float, ) -> tuple[np.ndarray, np.ndarray]: if units == "m": return x_grid / METERS_PER_NM, y_grid / METERS_PER_NM if units == "lambda": return lambda_to_nm(x_grid, energy_ev), lambda_to_nm(y_grid, energy_ev) if units == "nm": return x_grid, y_grid raise ValueError(f"Unsupported grid units: {units!r}") def load_json_artifact(path: str | Path) -> dict[str, Any]: """ Load a JSON artifact shipped with the exported dataset. Parameters ---------- path : str or Path Path to a JSON file such as ``geometry.json`` or a manifest. Returns ------- dict Parsed JSON payload. """ return json.loads(Path(path).read_text(encoding="utf-8")) def load_domain_ids(path: str | Path, energy_ev: float) -> dict[str, np.ndarray | float | str]: """ Load domain-id raster data with grid coordinates in nanometers. Parameters ---------- path : str or Path Path to ``domain_ids.npz``. energy_ev : float Photon energy in eV for lambda-unit grids. Returns ------- dict ``domain_ids``, ``X_nm``, ``Y_nm``, and metadata keys. """ with np.load(Path(path)) as data: units = _grid_units_from_npz(data) domain_ids = np.asarray(data["domain_ids"]) x_grid = np.asarray(data["X"], dtype=float) y_grid = np.asarray(data["Y"], dtype=float) x_nm, y_nm = _coords_in_nm(x_grid=x_grid, y_grid=y_grid, units=units, energy_ev=energy_ev) return { "domain_ids": domain_ids, "X": x_grid, "Y": y_grid, "X_nm": x_nm, "Y_nm": y_nm, "grid_units": units, "energy_ev": energy_ev, } def load_nk_tensor(path: str | Path, energy_ev: float) -> dict[str, np.ndarray | float | str]: """ Load nk tensor raster data with grid coordinates in nanometers. Parameters ---------- path : str or Path Path to ``nk_tensor.npz``. energy_ev : float Photon energy in eV for lambda-unit grids. Returns ------- dict ``nk_tensor``, ``domain_ids``, ``X_nm``, ``Y_nm``, and metadata keys. """ with np.load(Path(path)) as data: units = _grid_units_from_npz(data) nk_tensor = np.asarray(data["nk_tensor"]) domain_ids = np.asarray(data["domain_ids"]) x_grid = np.asarray(data["X"], dtype=float) y_grid = np.asarray(data["Y"], dtype=float) payload = {key: np.asarray(data[key]) for key in data.files} x_nm, y_nm = _coords_in_nm(x_grid=x_grid, y_grid=y_grid, units=units, energy_ev=energy_ev) payload["X_nm"] = x_nm payload["Y_nm"] = y_nm payload["grid_units"] = units payload["energy_ev"] = energy_ev return payload def load_electric_field(path: str | Path, energy_ev: float) -> dict[str, np.ndarray | float | str]: """ Load an electric-field raster with coordinates in nanometers. Parameters ---------- path : str or Path Path to ``electric_field.npz``. energy_ev : float Photon energy in eV for lambda-unit grids. Returns ------- dict ``electric_field``, coordinate grids, and stored metadata keys. """ with np.load(Path(path)) as data: units = _grid_units_from_npz(data) x_grid = np.asarray(data["X"], dtype=float) y_grid = np.asarray(data["Y"], dtype=float) payload = {key: np.asarray(data[key]) for key in data.files} x_nm, y_nm = _coords_in_nm(x_grid=x_grid, y_grid=y_grid, units=units, energy_ev=energy_ev) payload["X_nm"] = x_nm payload["Y_nm"] = y_nm payload["grid_units"] = units payload["energy_ev"] = energy_ev return payload def load_sample(sample_dir: str | Path, energy_ev: float) -> dict[str, Any]: """ Load core assets for one squiggles sample at a chosen energy scale. Parameters ---------- sample_dir : str or Path Path to ``sample_XXXX`` directory. energy_ev : float Photon energy in eV. Returns ------- dict Geometry, domain map, and available labeled-region tensors. """ root = Path(sample_dir) result: dict[str, Any] = { "sample_id": root.name, "energy_ev": energy_ev, "wavelength_nm": wavelength_nm_from_energy_ev(energy_ev), } geometry_path = root / "geometry.json" if geometry_path.is_file(): result["geometry"] = geometry_at_energy(geometry_path, energy_ev) result["geometry_manifest"] = load_json_artifact(geometry_path) domain_path = root / "domain_ids.npz" if domain_path.is_file(): result["domain_ids"] = load_domain_ids(domain_path, energy_ev) ooc_root = root / "ooc" if ooc_root.is_dir(): ooc: dict[str, dict[str, Any]] = {} sweep_manifest_path = ooc_root / "oc_sweep_manifest.json" if sweep_manifest_path.is_file(): result["ooc_sweep_manifest"] = load_json_artifact(sweep_manifest_path) for case_dir in sorted(path for path in ooc_root.iterdir() if path.is_dir()): case_payload: dict[str, Any] = {} manifest_path = case_dir / "oc_manifest.json" if manifest_path.is_file(): case_payload["manifest"] = load_json_artifact(manifest_path) nk_path = case_dir / "nk_tensor.npz" if nk_path.is_file(): case_payload["nk_tensor"] = load_nk_tensor(nk_path, energy_ev) if case_payload: ooc[case_dir.name] = case_payload if ooc: result["ooc"] = ooc fields_root = root / "fields" if fields_root.is_dir(): fields: dict[str, dict[str, Any]] = {} for run_dir in sorted(path for path in fields_root.iterdir() if path.is_dir()): run_payload: dict[str, Any] = {} manifest_path = run_dir / "field_manifest.json" if manifest_path.is_file(): run_payload["manifest"] = load_json_artifact(manifest_path) electric_field_path = run_dir / "electric_field.npz" if electric_field_path.is_file(): run_payload["electric_field"] = load_electric_field(electric_field_path, energy_ev) nk_path = run_dir / "nk_tensor.npz" if nk_path.is_file(): run_payload["nk_tensor"] = load_nk_tensor(nk_path, energy_ev) if run_payload: fields[run_dir.name] = run_payload if fields: result["fields"] = fields return result