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glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python
MIT License
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DsDA Example Broken #73

Closed vinnydavies closed 2 years ago

vinnydavies commented 4 years ago

The DsDA example from the original ViMMS paper is broken /examples/01. vimms (Wandy et al 2019)/DsDA. The code appears to be severely out of date. The mass spec no longer takes the schedule file that DsDA needs to run, it also doesn't use environment

uliebal commented 4 years ago

in examples/01. vimms (Wandy et al 2019)/01. Download Data.ipynb the function extract_roi has moved to FeatureExtraction file and should be loaded as: from vimms.FeatureExtraction import extract_roi

joewandy commented 4 years ago

in examples/01. vimms (Wandy et al 2019)/01. Download Data.ipynb the function extract_roi has moved to FeatureExtraction file and should be loaded as: from vimms.FeatureExtraction import extract_roi

Thanks for noticing that @uliebal ! I've just fixed the notebooks.

If you're interested to run our project, the demo folder contain more examples to look at. There's also a number of test cases here that test the controllers and other classes in different scenarios. Feel free to raise an issue on this github if you have any question.