Neutron Scattering Single Crystal Visualization
new-crystal-vis
NeuXtalViz is an application for three-dimensional (3d) visualization of neutron scattering data. It brings together two main libraries; PyVista is the main tool for displaying the 3d data while Mantid serves as the main library for working with reduced single crystal neutron diffraction data.
The application also relises on several other packages.
The current features of NeuXtalViz including the following tools
- Crystal Structure: load a CIF, display and modify crystal information.
- Sample Tools: load a UB, define a sample shape, and calculate absorption information.
- Modulation Information: load an indexed peaks workspace and use DBSCAN to determine modulation offsets.
- Volume Slicer: load a NXS histogram file and display slices from volume data.
Create conda environment
conda env create -f environment.yml
Activate garnet environment
conda activate nxv
Install in editable mode for developlment
python -m pip install -e .
Run the GUI
python src/NeuXtalViz.py
The application is designed with a model-view-presenter (MVP) pattern. This makes it possible to replace the view with a different one for other applications platforms. This could include trame for web-based applications.
