glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python
MIT License
19 stars 6 forks source link

Horrible scan time method calling #46

Closed sdrogers closed 3 years ago

sdrogers commented 4 years ago

Get rid of all this logic...if we get to this method, we should just sample times from the new peak_sampler: https://github.com/sdrogers/vimms/blob/49d48c816bd5cffe091c7031cb35a54b01d73c49/vimms/MassSpec.py#L455-L469

to be completed after #18

joewandy commented 3 years ago

Once we get rid of the kde stuff (the ps object), I think we don't need to use this specific scikit-learn version anymore. The pickled beer chems relies on the kde object being in the following particular location:

    def load_obj(filename):
        """
        Load saved object from file
        :param filename: The file to load
        :return: the loaded object
        """
        try:
            with gzip.GzipFile(filename, 'rb') as f:
>               return pickle.load(f)
E               ModuleNotFoundError: No module named 'sklearn.neighbors.kde'
joewandy commented 3 years ago

Done