A generic units class for pyiron #397
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(Jörg's suggestion)
pmrv
requested changes
Aug 12, 2021
| code_units.add_quantity(quantity="energy", | ||
| unit=pint_registry.kilocal / (pint_registry.mol * pint_registry.N_A)) | ||
| code_units.add_labels(labels=["energy_tot", "energy_pot"], quantity="energy") | ||
| # Raise Error for undefined quantity |
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Comments like this could live inside self.assertRaises(..., msg='Raise Error for undefined quantity') to make the test output a little bit more readable.
Co-authored-by: Marvin Poul <poul@mpie.de>
Co-authored-by: Marvin Poul <poul@mpie.de>
Co-authored-by: Marvin Poul <poul@mpie.de>
Co-authored-by: Marvin Poul <poul@mpie.de>
Co-authored-by: Marvin Poul <poul@mpie.de>
� Conflicts: � pyiron_base/generic/units.py
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I've found a way to test the Docstrings properly as well. If this is also okay, I can merge this! |
Cool! I had meant to just check it once, but this will make keeping the docstring up to date much easier, thanks! |
pmrv
approved these changes
Aug 13, 2021
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Leveraging the capabilities of pint to handle units for different simulation codes as well as modelling length and timescales.