Skip to content

Commit

Permalink
update NEWS
Browse files Browse the repository at this point in the history
  • Loading branch information
Aariq committed Oct 23, 2023
1 parent 2de9ca7 commit 6ba6edc
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion NEWS.md
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,8 @@

* It is now possible to supply input to `calc_vol()` as a vector of SMILES strings with `from = "smiles"`
* Users can now choose from RVI thresholds for non-volatile, low, moderate, and high volatility for clean atmosphere, polluted atmosphere, or soil using the `environment` parameter of `calc_vol()
* Chagnes to the output of `get_fx_groups()`: `mass` column renamed to `molecular_weight` and addition of an `exact_mass` column
* Changes to the output of `get_fx_groups()`: `mass` column renamed to `molecular_weight` and addition of an `exact_mass` column
* The `pathway_ids` argument of `get_mol_kegg()` now accepts pathway *module* IDs (e.g. "M00082")

# volcalc 2.0.0

Expand Down

0 comments on commit 6ba6edc

Please sign in to comment.