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Fix duplicate enumeration values of _atom_local_axes.ax* data items #5

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vaitkus
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@vaitkus vaitkus commented Mar 30, 2024

The _atom_local_axes.ax1 and _atom_local_axes.ax2 data items define several enumeration values which only differ in the letter case ('x' and 'X', '+y' and '+Y', etc.). The currently assigned 'Code' content type is case-insensitive, thus such values are considered identical. Changing the content type to 'Word' resolves this issue.

Alternatively, the uppercase or lowercase enumeration values could be removed without changing the content type, but, IMHO, having them all listed is a bit clearer.

All of these enumeration values were ported from the DDL1 version of the CIF_RHO dictionary [1].

[1] https://www.iucr.org/__data/iucr/cif/dictionaries/cif_rho.dic

@jamesrhester jamesrhester merged commit 83fc5bc into COMCIFS:master Apr 3, 2024
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@vaitkus vaitkus deleted the fix-duplicate-enumeration-values branch April 3, 2024 06:07
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