diff options
| author | Ranke Johannes <johannes.ranke@agroscope.admin.ch> | 2025-10-22 10:35:37 +0200 |
|---|---|---|
| committer | Ranke Johannes <johannes.ranke@agroscope.admin.ch> | 2025-10-22 11:57:27 +0200 |
| commit | adc69bd4e1543a229fbee543940f8b92fd499682 (patch) | |
| tree | dcf08c3387f8e7d45290a1ce735896944376b8f3 /DESCRIPTION | |
| parent | d6062331f8b3eacab729c6c2bfca0d24363d074c (diff) | |
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
Diffstat (limited to 'DESCRIPTION')
| -rw-r--r-- | DESCRIPTION | 6 |
1 files changed, 3 insertions, 3 deletions
diff --git a/DESCRIPTION b/DESCRIPTION index 8b44bdc..2201b9a 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,8 +1,8 @@ Package: chents Type: Package Title: Chemical Entities as R Objects -Version: 0.3.7 -Date: 2024-11-28 +Version: 0.4.0 +Date: 2025-10-22 Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"), email = "johannes.ranke@jrwb.de")) Description: Utilities for dealing with chemical entities and associated @@ -28,4 +28,4 @@ LazyData: yes Encoding: UTF-8 URL: https://pkgdown.jrwb.de/chents, https://github.com/jranke/chents Roxygen: list(markdown = TRUE, r6 = TRUE) -RoxygenNote: 7.3.2.9000 +RoxygenNote: 7.3.3 |