volcalc

Development of the volcalc package began as an incubator project and continued development was funded by the R Consortium. In this phase of work, we re-factored the package to make the functions more generally applicable to chemicals beyond those in the KEGG database.  There have also been a number of bug fixes and new features added so the resulting volatility calculations are more accurate.  We hope to add additional input validation features and the ability for users to specify a temperature at which to calculate volatility.