diff --git a/omnipath_metabo/schema/_structure.py b/omnipath_metabo/schema/_structure.py index 1a34493..7ca6915 100644 --- a/omnipath_metabo/schema/_structure.py +++ b/omnipath_metabo/schema/_structure.py @@ -167,6 +167,20 @@ def __iter__(self): class LipidMaps(): scheme = Structure name = 'LipidMaps' + id_fields = [ + ('name','SYSTEMATIC_NAME'), + ('name', 'PUBCHEM_CID'), + ('name', 'CHEBI_ID'), + ('name', 'HMDB_ID'), + ('name','SWISSLIPIDS_ID'), + ('name','SYNONYMS'), + ('name','ABBREVIATION') + ('annot','KEGG_ID'), + ('annot','LIPIDBANK_ID'), + ('annot','PLANTFA_ID'), + ('annot','NAME') + ] + def __iter__(self): sdf = lipidmaps.lmsd_sdf() @@ -180,7 +194,11 @@ def __iter__(self): yield { 'structure':(met['id'], smiles, met['name']['INCHI']), - 'properties':(met['annot'].get('EXACT_MASS', None), None, None, met['name'].get('FORMULA', None) ) + 'properties':(met['annot'].get('EXACT_MASS', None), + None, + None, + met['name'].get('FORMULA', None)), + 'identifiers':(met['PUBCHEM_CID'], met['CHEBI_ID']) } class Ramp(ResourceBase):