Meredith-Lab / volcalc

volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Environment choice #76

Closed Aariq closed 1 year ago

Aariq commented 1 year ago

Addresses #37 by adding a new parameter, environment to calc_vol(). This PR also replaces the categorization with dplyr::case_when() with a simpler method using cut(). A side-effect of this is that now the category column is a factor, which seems appropriate.