Read RI values from comments field into RI field & added unit test

RECETOX / RIAssigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.

MIT License

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Read RI values from comments field into RI field & added unit test #112

Closed wverastegui closed 6 months ago

wverastegui commented 7 months ago

Classes were adapted to read RI comment field from CSV and MSP input files. Unit test were added accordingly. Also fixed issues related to absence of RT column in CSV file and RT key in the MSP file.

closes https://github.com/RECETOX/RIAssigner/issues/107, closes https://github.com/RECETOX/RIAssigner/issues/110, closes https://github.com/RECETOX/RIAssigner/issues/108