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ENH: added uff data structure for each dataset #83

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merged 2 commits into from
Sep 26, 2023

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jankoslavic
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@jankoslavic jankoslavic commented Sep 26, 2023

I added get_structure_xy() methods to each dataset. With this, the structure of a particular dataset is accessible without checking the https://www.ceas3.uc.edu/sdrluff/ webpage and can also be printed from the code, by e.g. using pyuff.get_structure_58(). if optional parameter raw=True is used the specification is returned as raw string.

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Very useful!

@jankoslavic jankoslavic merged commit f0ae0cc into master Sep 26, 2023
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@jankoslavic jankoslavic deleted the dataset_definitions branch September 26, 2023 08:08
@nico-arnold
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Very nice, had to do this manually until now. Great idea!

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3 participants