From 6ba6edc9ecaf3a6b72ff7dd1cacc9fe3d3bbb174 Mon Sep 17 00:00:00 2001 From: Eric Scott Date: Mon, 23 Oct 2023 11:11:10 -0400 Subject: [PATCH] update NEWS --- NEWS.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/NEWS.md b/NEWS.md index af59189..84afb75 100644 --- a/NEWS.md +++ b/NEWS.md @@ -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