sah 2.0.0a4

The Spectra Analyser for Hydrogenous samples, or SAH, provides comprehensive tools to analyse INS, FTIR and Raman spectra.

The Spectral Analysis for Hydrogenous samples (SAH) allows researchers to dive into INS, Raman and FTIR spectral data.

Named after the ancient egyptian god Sah, the personification of the constellation Orion and highly related with Osiris.

Check the full documentation online.

Index

classes	Definition of the Spectra, Plotting and Material classes, instantiated as sah.Class()
fit	Spectral fitting functions
normalize	Spectra normalisation
deuterium	Deuteration estimation functions
plot	Spectra plotting, as sah.plot(Spectra)
samples	Sample materials for testing

Examples

To load two INS spectra CSV files with cm$^{-1}$ as input units, and plot them in meV units, normalizing their heights over the range from 20 to 50 meV:

import sah
# Set plotting parameters
plotting_options = sah.Plotting(
    title     = 'Calculated INS',
    )
# Load the spectral data
ins = sah.Spectra(
    type     = 'INS',
    files    = ['example_1.csv', 'example_2.csv'],
    units_in = 'cm-1',
    units    = 'meV',
    plotting = plotting_options,
    )
# Normalize the spectra
sah.normalize.height(spectra=ins, range=[20, 50])
# Plot the spectra
sah.plot(ins)

More examples in the examples/ folder.

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Contributing

If you are interested in opening an issue or a pull request, please feel free to do so on GitHub.
For major changes, please get in touch first to discuss the details.

Code style

Please try to follow some general guidelines:

• Use a code style consistent with the rest of the project.
• Include docstrings to document new additions.
• Include automated tests for new features or modifications, see automated testing.
• Arrange function arguments by order of relevance. Most implemented functions follow something similar to function(file, key/s, value/s, optional).

Automated testing

If you are modifying the source code, you should run the automated tests of the tests/ folder to check that everything works as intended. To do so, first install PyTest in your environment,

pip install pytest

And then run PyTest inside the base directory,

pytest -vv

Compiling the documentation

The documentation can be compiled automatically to docs/sah.html with Pdoc and ATON, by running:

python3 makedocs.py

This runs Pdoc, updating links and pictures, and using the custom theme CSS template from the css/ folder.

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License

Copyright (C) 2025 Pablo Gila-Herranz
This program is free software: you can redistribute it and/or modify it under the terms of the GNU Affero General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
See the attached GNU Affero General Public License for more details.