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COMCIFS / Powder_Dictionary

CIF definitions for powder diffraction
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deprecate PD_*_AUTHOR #130

Closed rowlesmr closed 1 year ago

rowlesmr commented 1 year ago

Will close #113.

The *.phase_id and *.diffractogram_id tags were straight up deleted, as they were only added during this round of additions, and not previously released.

rowlesmr commented 1 year ago

The DDLM check fails with:

Dictionary check detected the following irregularities:
/github/workspace/cod-tools/scripts/cif_ddlm_dic_check: ./cif_pow.dic data_CIF_POW save_PD_MEAS_INFO_AUTHOR: WARNING, attribute '_definition_replaced.by' references the 'AUDIT_AUTHOR' data item that is not defined in the given dictionary.
/github/workspace/cod-tools/scripts/cif_ddlm_dic_check: ./cif_pow.dic data_CIF_POW save_PD_MEAS_INFO_AUTHOR: WARNING, attribute '_definition_replaced.by' references the 'AUDIT_AUTHOR_ROLE' data item that is not defined in the given dictionary.
/github/workspace/cod-tools/scripts/cif_ddlm_dic_check: ./cif_pow.dic data_CIF_POW save_PD_PROC_INFO_AUTHOR: WARNING, attribute '_definition_replaced.by' references the 'AUDIT_AUTHOR' data item that is not defined in the given dictionary.
/github/workspace/cod-tools/scripts/cif_ddlm_dic_check: ./cif_pow.dic data_CIF_POW save_PD_PROC_INFO_AUTHOR: WARNING, attribute '_definition_replaced.by' references the 'AUDIT_AUTHOR_ROLE' data item that is not defined in the given dictionary.

What am I doing wrong here? The checks can find the _audit_author.address-like dataitems, but not the category to which they belong?

vaitkus commented 1 year ago

According to the definition of _definition_replaced.by it is only meant to be used with data items:

    Name of the data item that should be used instead of the defined data
    item. The defined data item is deprecated and should not be used. A
    value of '.' signifies that the data item is deprecated, with no
    replacement.

Furthermore, this attribute expects a value of the Tag data type, that is, a value that starts with an underscore ('_').

rowlesmr commented 1 year ago

Must have misinterpreted James' instructions. Ta.

jamesrhester commented 1 year ago

Nice to see an example of the use of _definition.replaced_by where more than one data name is listed.