RECETOX / MFAssignR

The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools for internal mass recalibration, MF assignment, signal-to-noise evaluation, and unambiguous formula selections are provided.
GNU General Public License v3.0
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Implement a unit test for the FindRecalSeries function #60

Closed hechth closed 2 months ago

hechth commented 2 months ago

The user facing FindRecalSeries function has no unit test so far, only all of the sub-functions have tests. There should be another test added for this function to insure that it works reproducibly, especially given that the test for the Galaxy tool wrapper is failing.

The test should take a recalibration list and check the output whether it is consistent across runs, so just comparing the actual output vs. the expected, which would be the output at the first run.