Updated `_assign_ri_value` function

RECETOX / RIAssigner

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

MIT License

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Closed zargham-ahmad closed 2 months ago

zargham-ahmad commented 2 months ago

This PR includes the following:

Added else statement in the _assign_ri_value function to delete the RI key if the value is not greater than 0. Now, if we extract RI from a comment in MSP and if the required GC column type value is not found in the comment, then the current RI key, if present, will be deleted when writing the file
added unit test case and test data

closes #120

zargham-ahmad commented 2 months ago

LGTM - please add the info to the changelog.

done in 8e52d89