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fix: write a single ec-code or smiles annotation as a list - #183

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edkerk merged 2 commits into
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parity/gecko-round-2
Oct 28, 2026
Merged

edkerk merged 2 commits into
developfrom
parity/gecko-round-2

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@edkerk edkerk commented Oct 25, 2026 •

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write_yaml_model writes a single ec-code or smiles annotation as a list, as RAVEN's writeYAMLmodel does. cobra keeps one identifier as a bare string, so a model with one EC code per reaction was written as a scalar, where RAVEN writes a list. The other annotation keys keep their collapsed form.

Not checked: other annotation keys that RAVEN always writes as lists.

Companion changes: CompMetEng/geckopy#70 and CompMetEng/GECKO#13.

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edkerk merged commit 667795f into develop Oct 28, 2026
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edkerk deleted the parity/gecko-round-2 branch October 28, 2026 21:37
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