glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python
MIT License
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Iss 162 #171

Closed sdrogers closed 4 years ago

sdrogers commented 4 years ago

Fixed this problem -- the PeakSampler.get_parent_intensity_proportion was returning np arrays. Changed this to return a single value if only a single value is asked for. Added a check in the MassSpec to flatten there. Will require a new .p to be made for the PeakSampler. If in the mood for updating .p files, can also update BEER_CHEMS and remove lines 37-39 in conftest.py

It was only showing in that test because, as MS1 frag params were being set, we were processing a frag scan.

Fixes #169