ENH: allow different annotation keys #50
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Description
Changing the annotation of the metabolites on the fly works but it is not scalable and hinders the use of alternative thermodynamic databases with other DB identifiers. Furthermore, it is usually the case that GEMs come with SEED annotations but with a different key, such as "seed.compound", "seed.id", etc. instead of
seed_id
, so it would be useful to allow the user to define which annotation key (as incobra.Metabolite.annotation[key]
) should be matched against the database during the preparation/conversion of theThermoModel
.Implementation
__init__()
method ofpytfa.thermo.ThermoModel
now accepts an additional argumentannotation_key
used during preparation/conversion, which defaults toseed_id
.