Tools

This folder contains tools to extract information from the QENS models or to help users converting units.

• Convert_units.ipynb

  This notebook gives a few references and tips to convert physical units of parameters used in the QENS models.

• Explore_model.ipynb

  This notebook displays the characteristics of a selected model of the QENS library: the peak half-width half-maximum (hwhm), the elastic incoherent structure factor (eisf) and the quasielastic incoherent structure factor (qisf).

• Test_models.ipynb

  This notebook displays S(omega,q) in linear and log scale for a selected model from the QENS library. This model can be convoluted with a Gaussian instrument profile.

• run_tests.sh

  This script runs unittests and doctests through the models in QENSmodels.

Note that in order to open the Jupyter notebooks, you’ll need jupyter, numpy, matplotlib, and ipywidgets (for interactive plots).

To run the Jupyter notebooks, you can, for example, in the folder where these notebooks are located

• create a virtual environment

  python -m venv .venv
  source .venv/bin/activate
  python -m pip install ipywidgets jupyterlab matplotlib git+https://github.com/QENSlibrary/QENSmodels.git
  

The above command assumes that the QENSmodels library is not installed in this virtual environment. If you had already installed the library, replace the above by python -m pip install ipywidgets jupyterlab matplotlib.

• to access the notebooks,

  • type jupyter lab

  • click on the notebook you want to open.