update NEWS

Meredith-Lab · Mar 22, 2024 · 0dc4fea · 0dc4fea
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 # volcalc (development version)
 
+* adds a `validate = TRUE` option to `calc_vol()` and `get_fx_groups()` that returns `NA`s when there are suspected errors in parsing SMILES or .mol files. This is unfortunately not available on Windows due to differences in the windows version of `ChemmineOB`
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 # volcalc 2.1.2
 
 * There is no release for this version as it was a rejected CRAN submission.