On Sun, Jul 11, 2021 at 8:51 PM Peter Murray-Rust <pm...@cam.ac.uk> wrote:

> As you've probably found the message comes from CMLAtom, and is one of the
> hardcoded validation rules for CML (these would be better done with an
> XPath-type tool like Schematron, but that's irrelevant).
>

That's okay.


> The error makes no sense!
>

Agreed :) It took me a while to figure out that the error was actually not
because of the test, but triggered but something that (did not) happened in
some other test.


>  My guess would be that it's picked up the wrong version of some library.
> I haven't used Java recently - my suggestion would be to see if it is true
> with other Java versions. If I understand it right, the error occurs in the
> repository tests when building the system.
>

Actually, my current understanding is that it is not a dependency, nor a
Java version, but likely a concurrency problem. The factory orchestrating
the generation of the internal data model uses static/global variables and
somewhere it forgot to clean the stack of parents, so that when the
cml:atom is creating, it falsely believes it has an atomArray parent with
an cml:formula grandparent...

In the end, I could work around the problem to have the test (about
removing non-CML attributes) not use cml:atom but cml:cml. I also filed a
bug report to rework the code to not use global variables (which may be
tricky...).

Egon

-- 
This year I am stepping down as co-Editor-in-Chief of the Journal of
Cheminformatics, because of a conflict of interest with Springer Nature.
See https://twitter.com/egonwillighagen/status/1403299501947899907

-----
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Twitter/Mastodon: @egonwillighagen <https://twitter.com/egonwillighagen> /
@egonw <https://scholar.social/@egonw>
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: https://www.zotero.org/egonw
ORCID: 0000-0001-7542-0286 <http://orcid.org/0000-0001-7542-0286>
ImpactStory: https://impactstory.org/u/egonwillighagen
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