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Update matrix dimension examples#47

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jamesrhester merged 2 commits into
COMCIFS:mainfrom
vaitkus:update-matrix-dimension-examples
Jul 10, 2026
Merged

Update matrix dimension examples#47
jamesrhester merged 2 commits into
COMCIFS:mainfrom
vaitkus:update-matrix-dimension-examples

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@vaitkus

@vaitkus vaitkus commented Jul 9, 2026

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Closes issue #12.

While validating the category usage examples from various dictionaries I once again stumbled upon the question how items that have the Matrix container and a 1-D dimension (e.g. '[3]') should be expressed in a CIF file, i.e. is the top level List required ([ a b c ] vs. [[ a b c ]]). From the discussion in #12 and usage example in the dictionaries, it seems that [ a b c ] is the expected correct form. As such, I tried to formalise it.

I understand that DDLm is format-agnostic therefore I tried to specify it in general terms. Please rephrase if this does not seem suitable.

On a related note, it seems that we also do not specify anywhere how a Matrix container should be represented in CIF. At one point I just started assuming that a list of lists (each nested list representing a row). This interpretation is employed in value examples of other dictionaries so in a sense it is defined through usage.

vaitkus added 2 commits July 9, 2026 13:45
The new example makes it clear which list element maps to which
dimension.
@jamesrhester jamesrhester merged commit 131c43e into COMCIFS:main Jul 10, 2026
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@vaitkus vaitkus deleted the update-matrix-dimension-examples branch July 10, 2026 08:12
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2 participants