basesections.py classes and normalizers improvements
-
ExperimentStep normalizer (see comment below) -
Add FileEditQuantity to Measurement ELN (see comment below) -
set PubChemPureSubstance as default -
check that workflow2.name is filled in every case -
support for adding one component at a time is missing -
the basic ElementalComposition should not be editable (or completely moved in Results) -
figure out if "tags" quantity should be a deprecated or not -
Rename smile
tosmiles
in PureSubstanceSection: SMILES is the correct abbreviation. -
check once again the datetime timezone -
archive.results.eln
what do we do with this section? -
archive.results.eln.instruments
is present in some normalizer, think about what to do with this -
ReadableIdentifiers None check: !1985 (comment 283035) https://en.wikipedia.org/wiki/Simplified_Molecular_Input_Line_Entry_System -
harmonize and populate the topology from the new system classes -
python if self.owner is None or self.institute is None:
@lukaspie commented: Are these None by default? If not, get_attr might be safer. -
include Instrument in the workflow graph. @lukaspie -
separate out (somehow) the normalizer for chemical descriptor in pure substance @ndaelman @g-bernadettemohr -
search_results = search(...)
is used several times. Try to make a general method for that -
archive.results.eln.lab_ids
why do we need this "backfilling" of the lab_id from results? -
figure out the tags
: if/where to include a normalizer for that
Edited by Andrea Albino