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| # PhysicsNeMo-Curator Tutorial: CGNS to NumPy | ||
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| ## Overview | ||
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| This tutorial demonstrates how to use the PhysicsNeMo-Curator ETL pipeline to: | ||
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| 1. Extract physics simulation data from **CGNS (CFD General Notation System)** files. | ||
| 2. Transform the data into standard **NumPy arrays** with configurable precision. | ||
| 3. Write the processed data to efficient, compressed `.npz` files with sidecar metadata. | ||
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| ## 1. Create a Dataset | ||
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| PhysicsNeMo-Curator works with well-defined formats and schemas. For this tutorial, we define a custom simulation dataset using: | ||
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| * **Format**: CGNS (Computational Fluid Dynamics General Notation System) | ||
| * **Storage**: Local filesystem | ||
| * **Schema**: Each simulation run contains a mesh with the following fields: | ||
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| | Field Name | Type | Description | | ||
| | --- | --- | --- | | ||
| | `coordinates` | `(N, 3)` | Spatial coordinates (x, y, z) of mesh points | | ||
| | `faces` | `(M, 4)` | Mesh connectivity information (triangulated) | | ||
| | `Temperature` | `(N,)` | Scalar temperature field | | ||
| | `Pressure` | `(N,)` | Scalar pressure field | | ||
| | `Velocity` | `(N, 3)` | 3D velocity vector field | | ||
| | `Density` | `(N,)` | Scalar density field | | ||
| | `Vorticity` | `(N,)` | Scalar vorticity field | | ||
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| ### Generate Sample Data | ||
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| We have provided a script to generate 5 simulation runs with random physics-like data on a spherical mesh. | ||
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| To generate the data: | ||
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| ```bash | ||
| python generate_sample_data.py | ||
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| ``` | ||
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| This will create a `tutorial_data/` directory containing 5 `.cgns` files (e.g., `run_001.cgns`). | ||
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| ## 2. The ETL Pipeline | ||
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| The pipeline consists of four main components orchestrated to process files in parallel. | ||
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| ### A. Source: `CGNSDataSource` | ||
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| * **File**: `cgns_data_source.py` | ||
| * **Function**: Reads CGNS files using `pyvista`. It extracts the mesh geometry (`coordinates`, `faces`) and all point data fields (`Temperature`, `Velocity`, etc.). | ||
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| ### B. Transformation: `CGNSToNumpyTransformation` | ||
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| * **File**: `cgns_to_numpy_transformation.py` | ||
| * **Function**: Converts raw CGNS data into standard NumPy arrays. | ||
| * **Precision Control**: Configurable to output `float32` (default) or `float64`. | ||
| * **Vector Handling**: Automatically computes magnitude arrays for 2D/vector fields (e.g., `Velocity` -> `Velocity_magnitude`). | ||
| * **Statistics**: Calculates comprehensive statistics (min, max, mean, std) for all fields. | ||
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| ### C. Sink: `NumpyDataSource` | ||
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| * **File**: `numpy_data_source.py` | ||
| * **Function**: Writes the transformed data to disk. | ||
| * **Data**: Saved as compressed `.npz` files (using `np.savez_compressed`). | ||
| * **Metadata**: Saved as separate `.json` sidecar files containing file info and calculated statistics. | ||
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| ### D. Validator: `TutorialValidator` | ||
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| * **File**: `tutorial_validator.py` | ||
| * **Function**: Validates the input CGNS files before processing. It checks for valid mesh structure (points, cells), dimensions, and data integrity (NaN/Inf checks). | ||
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| ## 3. Configuration | ||
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| The pipeline is configured using Hydra via `tutorial_config.yaml`. | ||
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| ```yaml | ||
| etl: | ||
| processing: | ||
| num_processes: 2 # Parallel execution | ||
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| validator: | ||
| _target_: tutorial_validator.TutorialValidator | ||
| validation_level: "fields" | ||
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| source: | ||
| _target_: cgns_data_source.CGNSDataSource | ||
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| transformations: | ||
| cgns_to_numpy: | ||
| _target_: cgns_to_numpy_transformation.CGNSToNumpyTransformation | ||
| precision: "float32" # or "float64" | ||
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| sink: | ||
| _target_: numpy_data_source.NumpyDataSource | ||
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| ``` | ||
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| ## 4. Run the Pipeline | ||
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| To run the ETL pipeline, use the `run_etl.py` script. You must specify the input and output directories. | ||
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| ```bash | ||
| python run_etl.py \ | ||
| etl.source.input_dir=tutorial_data \ | ||
| etl.sink.output_dir=output_numpy | ||
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| ``` | ||
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| ## 5. Output | ||
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| After execution, the `output_numpy/` directory will contain paired files for each run: | ||
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| 1. **`run_001.npz`**: A compressed archive containing the NumPy arrays (`coordinates`, `faces`, `Temperature`, `Velocity`, etc.). | ||
| 2. **`run_001.json`**: A JSON file containing metadata, such as: | ||
| ```json | ||
| { | ||
| "num_points": 1024, | ||
| "precision": "<class 'numpy.float32'>", | ||
| "Temperature_mean": 300.5, | ||
| "Temperature_std": 12.1, | ||
| "Velocity_magnitude_max": 15.2 | ||
| } | ||
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| ``` |
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| # SPDX-FileCopyrightText: Copyright (c) 2025 NVIDIA CORPORATION & AFFILIATES. | ||
| # SPDX-FileCopyrightText: All rights reserved. | ||
| # SPDX-License-Identifier: Apache-2.0 | ||
| # | ||
| # Licensed under the Apache License, Version 2.0 (the "License"); | ||
| # you may not use this file except in compliance with the License. | ||
| # You may obtain a copy of the License at | ||
| # | ||
| # http://www.apache.org/licenses/LICENSE-2.0 | ||
| # | ||
| # Unless required by applicable law or agreed to in writing, software | ||
| # distributed under the License is distributed on an "AS IS" BASIS, | ||
| # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. | ||
| # See the License for the specific language governing permissions and | ||
| # limitations under the License. | ||
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| """Tutorial ETL pipeline for HDF5 to Zarr conversion.""" | ||
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| from . import ( | ||
| h5_data_source, # noqa: F401 | ||
| h5_to_zarr_transformation, # noqa: F401 | ||
| tutorial_config, # noqa: F401 | ||
| tutorial_validator, # noqa: F401 | ||
| zarr_data_source, # noqa: F401 | ||
| ) |
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examples/tutorials/etl_cgns_to_numpy/cgns_data_source.py
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| # SPDX-FileCopyrightText: Copyright (c) 2025 NVIDIA CORPORATION & AFFILIATES. | ||
| # SPDX-FileCopyrightText: All rights reserved. | ||
| # SPDX-License-Identifier: Apache-2.0 | ||
| # | ||
| # Licensed under the Apache License, Version 2.0 (the "License"); | ||
| # you may not use this file except in compliance with the License. | ||
| # You may obtain a copy of the License at | ||
| # | ||
| # http://www.apache.org/licenses/LICENSE-2.0 | ||
| # | ||
| # Unless required by applicable law or agreed to in writing, software | ||
| # distributed under the License is distributed on an "AS IS" BASIS, | ||
| # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. | ||
| # See the License for the specific language governing permissions and | ||
| # limitations under the License. | ||
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| from pathlib import Path | ||
| from typing import Any, Dict, List | ||
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| import numpy as np | ||
| import pyvista as pv | ||
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| from physicsnemo_curator.etl.data_sources import DataSource | ||
| from physicsnemo_curator.etl.processing_config import ProcessingConfig | ||
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| class CGNSDataSource(DataSource): | ||
| """DataSource for reading CGNS physics simulation files.""" | ||
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| def __init__(self, cfg: ProcessingConfig, input_dir: str): | ||
| """Initialize the CGNS data source. | ||
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| Args: | ||
| cfg: Processing configuration | ||
| input_dir: Directory containing input CGNS files | ||
| """ | ||
| super().__init__(cfg) | ||
| self.input_dir = Path(input_dir) | ||
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| if not self.input_dir.exists(): | ||
| raise FileNotFoundError(f"Input directory {self.input_dir} does not exist") | ||
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| def get_file_list(self) -> List[str]: | ||
| """Get list of CGNS files to process. | ||
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| Returns: | ||
| List of filenames (without extension) to process | ||
| """ | ||
| # Find all .cgns files and return their base names | ||
| cgns_files = list(self.input_dir.glob("*.cgns")) | ||
| filenames = [f.stem for f in cgns_files] # Remove .cgns extension | ||
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| self.logger.info(f"Found {len(filenames)} CGNS files to process") | ||
| return sorted(filenames) | ||
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| def _read_cgns_mesh(self, filepath: Path): | ||
| """Read a CGNS file and extract the mesh. | ||
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| Args: | ||
| filepath: Path to the CGNS file | ||
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| Returns: | ||
| pyvista mesh object or None if reading fails | ||
| """ | ||
| try: | ||
| reader = pv.CGNSReader(str(filepath)) | ||
| # Turn off loading the interior mesh | ||
| reader.load_boundary_patch = False | ||
| mesh = reader.read() | ||
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| # Check if the mesh is valid and contains a block to process | ||
| if not mesh or not mesh[0]: | ||
| self.logger.warning(f"No valid data found in {filepath}. Skipping.") | ||
| return None | ||
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| original = mesh[0][0] | ||
| return original | ||
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| except Exception as e: | ||
| self.logger.error(f"Error processing file {filepath}: {e}") | ||
| return None | ||
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| def read_file(self, filename: str) -> Dict[str, Any]: | ||
| """Read one CGNS file and extract all data. | ||
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| Args: | ||
| filename: Base filename (without extension) | ||
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| Returns: | ||
| Dictionary containing extracted data and metadata | ||
| """ | ||
| filepath = self.input_dir / f"{filename}.cgns" | ||
| if not filepath.exists(): | ||
| raise FileNotFoundError(f"File not found: {filepath}") | ||
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| self.logger.warning(f"Reading {filepath}") | ||
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| # Read the CGNS mesh | ||
| original_mesh = self._read_cgns_mesh(filepath) | ||
| if original_mesh is None: | ||
| raise ValueError(f"Failed to read CGNS file: {filepath}") | ||
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| # Extract surface and triangulate | ||
| surface_mesh = original_mesh.extract_surface().triangulate() | ||
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| # Convert cell data to point data if present | ||
| if surface_mesh.cell_data: | ||
| self.logger.info("Found cell data. Converting to point data.") | ||
| surface_mesh = surface_mesh.cell_data_to_point_data() | ||
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| # Build data dictionary | ||
| data = {} | ||
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| # Extract coordinates (points) | ||
| data["coordinates"] = np.array(surface_mesh.points) | ||
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| # Extract connectivity/faces information | ||
| data["faces"] = np.array(surface_mesh.faces).reshape(-1, 4)[:, 1:] # Remove size prefix | ||
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| # Extract all point data fields | ||
| for field_name in surface_mesh.point_data.keys(): | ||
| data[field_name] = np.array(surface_mesh.point_data[field_name]) | ||
| self.logger.info(f"Extracted point data field: {field_name}") | ||
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| # Store metadata | ||
| metadata = { | ||
| "n_points": surface_mesh.n_points, | ||
| "n_cells": surface_mesh.n_cells, | ||
| "bounds": surface_mesh.bounds, | ||
| } | ||
| data["metadata"] = metadata | ||
| data["filename"] = filename | ||
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| self.logger.warning(f"Loaded data with {surface_mesh.n_points} points and {surface_mesh.n_cells} cells") | ||
| return data | ||
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| def _get_output_path(self, filename: str) -> Path: | ||
| """Get the final output path for a given filename. | ||
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| Args: | ||
| filename: Name of the file to process | ||
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| Returns: | ||
| Path object representing the final output location | ||
| """ | ||
| raise NotImplementedError("CGNSDataSource only supports reading") | ||
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| def _write_impl_temp_file( | ||
| self, | ||
| data: Dict[str, Any], | ||
| output_path: Path, | ||
| ) -> None: | ||
| """Not implemented - this DataSource only reads.""" | ||
| raise NotImplementedError("CGNSDataSource only supports reading") | ||
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| def should_skip(self, filename: str) -> bool: | ||
| """Never skip files for reading.""" | ||
| return False | ||
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Seems like this is tightly configured only for handling surface meshes. Volume mesh will not need extract_surface and triangulate methods.