@smcolby has added corems.molecular_id.search.database_interfaces module to branch of lcmsrefactor (feature branch is metabrefapi.
Below is example code to work with GCMS workflow:
from corems.molecular_id.search.database_interfaces import MetabRefDatabaseInterface
# Initialize
metabref = MetabRefDatabaseInterface()
# Set token
# This isn't tied to the class, so as long as it's been set
# at some point and part of your environment, good to go.
metabref.set_token("metabref.token")
# Get some stuff
db = metabref.get_gcms_library(format='json')
The existing lipidomics workflow should access metabref using as much overlapping functionality as possible.
@smcolby has added
corems.molecular_id.search.database_interfaces
module to branch oflcmsrefactor
(feature branch ismetabrefapi
.Below is example code to work with GCMS workflow:
The existing lipidomics workflow should access metabref using as much overlapping functionality as possible.