materials-for-mc 0.1.0

Material builder for Monte Carlo simulations

Materials for MC

Make materials for use in neutronics workflows.

🦀Rust back end for speed 🐍Python API for ease of use 🕸️WASM API for online deployment

General features:

• Build Nuclides
  • Get microscopic cross sections
• Build up Materials
  • Set densities
  • Add nuclides
  • Add elements
  • Get macroscopic cross sections
• Set the nuclear data paths
  • Per nuclide, material or globally
  • Using local JSON files
  • On the fly downloading
  • Caches nuclides to avoid duplicate reading

Features speciffically for usage Monte Carlo Tranport

• Get unified energy grid for material
• Calculate MT reactions cross sections at specified energy
• Calculate total macroscopic cross section
• Calculate mean free path

User install

Install as a Python package if you want to use the package with your own Python code

pip install materials_for_mc

Install the Rust crate if you want to use the package with your own Rust code

cargo install materials_for_mc

Developer install

Depending on your usage you may need to Rust, Python

git clone [e-mail]:fusion-neutronics/materials_for_mc.git
cd materials_for_mc

Example python usage

python3.11 -m venv .materials_for_mc_env

source .materials_for_mc_env/bin/activate

pip install maturin

maturin develop --features pyo3

python examples/use_in_python.py

Example rust usage

cargo build
cd example_use
cargo build
cargo run

WebAssembly Support

The package can be compiled to WebAssembly for use in web browsers:

to test the wasm bindings

wasm-pack test --headless --firefox

curl https://rustwasm.github.io/wasm-pack/installer/init.sh -sSf | sh
wasm-pack build --target web --features wasm
cp -r pkg examples/wasm/
# Serve the demo pages locally
python -m http.server 8000
# Open the demo pages in your browser, I use firefox here but others should also work.
firefox http://localhost:8000/examples/wasm/reaction_plotter.html

The WebAssembly demos include:

• Material creation and manipulation
• Cross section calculation and visualization
• Predefined materials
• Interactive plotting with Plotly

Testing

Tests are present for both the core Rust code and the Python wrapper

cargo test
pytest

WebAssembly (WASM) Testing

To run tests for the WASM bindings, you must enable the optional wasm-test feature and use a browser (e.g., Firefox):

cargo test --features wasm-test
wasm-pack test --headless --firefox --features wasm-test

This ensures that WASM-specific tests and dependencies are only included when needed.