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COMCIFS / magnetic_dic

Development of the magnetic CIF dictionary
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Pretty-print dictionary according to style rules. #46

Closed jamesrhester closed 11 months ago

jamesrhester commented 11 months ago

The current "main" branch was re-output using julia_cif_tools/pretty_print.jl , then the result was compared to the source using julia_cif_tools/compare.jl -w -c (no whitespace or case differences considered significant) which found no differences.

vaitkus commented 11 months ago

I also noticed that the some attributes definitions are now explicitly provided instead of relying on their default values (e.g. _type.purpose -> Describe, _type.source -> Assigned). This is necessary to satisfy the style guide requirements, but I was just wandering if the original authors really intended for these specific default values to be used or did they simply left the attribute unfilled. For example, _space_group_symop_magn_ssg_operation.algebraic is assigned the Describe purpose while most likely it should have the Encode purpose (e.g. similar to _space_group_symop.operation_xyz from CIF_CORE).

I am fine with merging the reformatted dictionary as is and then going through the purposes of items later. Alternatively, we may want to go through the default list now and then merge the changes to this PR (or simply rerun the pretty printer).

jamesrhester commented 11 months ago

Let's get the pretty-printed version in place, and then make changes relative to it.

vaitkus commented 11 months ago

Ok. Just ignore those PR for now then and I will resubmit once the PP version is in place.