from pathlib import Path import numpy as np import zarr from vcelldata.mesh import CartesianMesh from vcelldata.simdata_models import PdeDataSet, DataBlockHeader, DataFunctions, NamedFunction, VariableType def write_zarr(pde_dataset: PdeDataSet, data_functions: DataFunctions, mesh: CartesianMesh, zarr_dir: Path) -> None: volume_data_vars: list[DataBlockHeader] = [v for v in pde_dataset.variables_block_headers() if v.variable_type == VariableType.VOLUME] volume_functions: list[NamedFunction] = [f for f in data_functions.named_functions if f.variable_type == VariableType.VOLUME] num_channels = len(volume_data_vars) + len(volume_functions) + 1 num_t: int = len(pde_dataset.times()) times: list[float] = pde_dataset.times() header = pde_dataset.first_data_zip_file_metadata().file_header num_x: int = header.sizeX num_y: int = header.sizeY num_z: int = header.sizeZ z1 = zarr.open(str(zarr_dir.absolute()), mode='w', shape=(num_t, num_channels, num_z, num_y, num_x), chunks=(1,1,num_z,num_y,num_x), dtype=float) channel_metadata: list[dict] = [] for t in range(num_t): bindings = {} # add region map region_map = mesh.volume_region_map.reshape((num_z, num_y, num_x)) z1[t, 0, :, :, :] = region_map if t == 0: channel_metadata.append({"index": 0, "label": "region_mask", "domain_name": "all", "min_value": np.min(region_map), "max_value": np.max(region_map)}) # add volumetric state variables for i, v in enumerate(volume_data_vars): var_data: np.ndarray = pde_dataset.get_data(v.var_name, times[t]).reshape((num_z, num_y, num_x)) c = i + 1 z1[t, c, :, :, :] = var_data domain_name = v.var_name.split("::")[0] var_name = v.var_name.split("::")[1] bindings[var_name] = var_data if t == 0: channel_metadata.append({"index": c, "label": var_name, "domain_name": domain_name, "min_values": [], "max_values": [], "mean_values": []}) channel_metadata[c]["min_values"].append(np.min(var_data)) channel_metadata[c]["max_values"].append(np.max(var_data)) channel_metadata[c]["mean_values"].append(np.mean(var_data)) # add volumetric functions for j, f in enumerate(volume_functions): func_data = f.evaluate(variable_bindings=bindings).reshape((num_z, num_y, num_x)) c = i + j + 2 z1[t, c, :, :, :] = func_data domain_name = f.name.split("::")[0] function_name = f.name.split("::")[1] if t == 0: channel_metadata.append({"index": (i + j + 2), "label": function_name, "domain_name": domain_name, "min_values": [], "max_values": [], "mean_values": []}) channel_metadata[c]["min_values"].append(np.min(func_data)) channel_metadata[c]["max_values"].append(np.max(func_data)) channel_metadata[c]["mean_values"].append(np.mean(func_data)) z1.attrs["metadata"] = { "axes": [ {"name": "t", "type": "time", "unit": "second"}, {"name": "c", "type": "channel", "unit": None}, {"name": "z", "type": "space", "unit": "micrometer"}, {"name": "y", "type": "space", "unit": "micrometer"}, {"name": "x", "type": "space", "unit": "micrometer"} ], "channels": channel_metadata, "times": times, "mesh": { "size": mesh.size, "extent": mesh.extent, "origin": mesh.origin, "volume_regions": [{"region_index": mesh.volume_regions[i][0], "domain_type_index": mesh.volume_regions[i][1], "volume": mesh.volume_regions[i][2], "domain_name": mesh.volume_regions[i][3]} for i in range(len(mesh.volume_regions))], } } z1.attrs["metadata"]["mesh"] = { "size": mesh.size, "extent": mesh.extent, "origin": mesh.origin, "volume_regions": [{"region_index": mesh.volume_regions[i][0], "domain_type_index": mesh.volume_regions[i][1], "volume": mesh.volume_regions[i][2], "domain_name": mesh.volume_regions[i][3]} for i in range(len(mesh.volume_regions))], }