From 4e092707e70adac492b74197e6ceef5cdd09cc8d Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 5 Mar 2026 11:09:31 +0100 Subject: Bump version for improved pai printing method Also, improve the example demonstrating pais not found at BCPC --- NEWS.md | 4 ++++ 1 file changed, 4 insertions(+) (limited to 'NEWS.md') diff --git a/NEWS.md b/NEWS.md index 07af04e..6ec85a4 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,3 +1,7 @@ +## version 0.4.1 + +- R/chent.R: Improve print method for `pai` objects. + ## version 0.4.0 - R/chent.R: PubChem has changed the names of the SMILES codes they provide. The former isomeric smiles that was incorporated in our chent objects as "Pubchem_Isomeric" is now simply calles SMILES, and is incorporated in our objects as "PubChem". The SMILES code formerly given as "canonical" is now termed "connectivity SMILES" because it does not contain isotopic or stereochemical specifications. In the chents object, it is now available under the name "PubChem_Connectivity". This is a breaking change, so objects generated with versions < 0.4.0 may produce errors when used with current versions. -- cgit v1.2.3