From adc69bd4e1543a229fbee543940f8b92fd499682 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Wed, 22 Oct 2025 10:35:37 +0200 Subject: Adapt to new SMILES names at PubChem This may break some code using the old smiles names "PubChem_Canonical" and "PubChem_Isomeric" instead of the new smiles names "PubChem" (including isotopic and stereochemical information) and "PubChem_Connectivity" (only containing connectivity, but still canonical). Further changes in this commit: - A fix to the test target in the makefile - Use markdown syntax for link to objects from other packages in the documentation - Adapt the tests - Increase test coverage a bit --- log/build.log | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) (limited to 'log/build.log') diff --git a/log/build.log b/log/build.log index b6e3ba5..ff5543b 100644 --- a/log/build.log +++ b/log/build.log @@ -3,6 +3,7 @@ * checking DESCRIPTION meta-information ... OK * checking for LF line-endings in source and make files and shell scripts * checking for empty or unneeded directories +Removed empty directory ‘chents/tests/testthat/_snaps’ Omitted ‘LazyData’ from DESCRIPTION -* building ‘chents_0.3.7.tar.gz’ +* building ‘chents_0.4.0.tar.gz’ -- cgit v1.2.3