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Proteobench / ProteoBench

ProteoBench is an open and collaborative platform for community-curated benchmarks for proteomics data analysis pipelines. Our goal is to allow a continuous, easy, and controlled comparison of proteomics data analysis workflows.
https://proteobench.readthedocs.io
Apache License 2.0
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fix custom import #248

Closed mlocardpaulet closed 4 months ago

mlocardpaulet commented 4 months ago

I fixed the custom import. I'll update the docs asap.

One thing that I noticed though @RobbinBouwmeester: in module.py, there is this line: input_data_frame["proforma"] = input_data_frame["Modified sequence"] But isn't it redundant with the toml file line that defines the column with the modified sequence?

mlocardpaulet commented 4 months ago

here is a test file test_custom.txt

RobbinBouwmeester commented 4 months ago

Regarding this bit:

input_data_frame["proforma"] = input_data_frame["Modified sequence"]

This is search engine/software specific parsing. By this point I believe we have not read the input toml yet. So either we need to read this beforehand or keep it as is. I would opt for the last option and make a todo/comment in the code that we might change this in the future.