Closed Unaimend closed 4 months ago
But there is a test case for that
The above mentioned test case does indeed miss this case
tried and can't replicate the problem - please check again:
from pathlib import Path
from src.MeMoMetabolite import MeMoMetabolite
this_directory = Path("tests/")
dat = this_directory.joinpath("dat")
mod_path = dat.joinpath("e_coli_core.xml")
mod = MeMoModel.fromPath(mod_path)
mod.annotate()
res = mod.match(mod, keep1ToMany= False)
Output of the matching.
You can see that keep1ToMany is false but the output contains one to many matches. I think they have been matched on inchi so the matchInchi function does not properly respect the parameter
Originally posted by @Unaimend in https://github.com/Porthmeus/MeMoMe/issues/100#issuecomment-2098331286