Upgrade matchms library from 0.20.0 to 0.28.2 #991
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….in' after matchms and pandas package upgrades in requirements.in
…ection mass from adducts df
…_parent_mass() function
…arning but are unnecessary
… test of cheminfo.py
…uct table structure
tharwood3
requested changes
Nov 20, 2024
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Nice work! Glad you fixed the get_precursor_mz function, that could have led to some headaches down the line.
The only thing I noticed was one other place the new CI image version should be incremented. The local_jupyter.sh file that is used to launch the metatlas test instance still has the old container.
Once that is changed, feel free to merge in!
tharwood3
approved these changes
Nov 20, 2024
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