| Age | Commit message (Collapse) | Author | Files | Lines | |
|---|---|---|---|---|---|
| 2025-10-22 | Improve messages and README | Ranke Johannes | 1 | -1/+1 | |
| Use README.rmd in order to be able to include demo code and output in the README. | |||||
| 2025-10-22 | Adapt to new SMILES names at PubChem | Ranke Johannes | 1 | -2/+2 | |
| 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 | |||||
| 2024-12-02 | Add @description tags to R6 methods | Johannes Ranke | 1 | -20/+20 | |
| Otherwise, the descriptions of the methods get mixed up | |||||
| 2024-11-28 | Improve README and example code | Ranke Johannes | 1 | -6/+2 | |
| 2024-11-28 | Polish documentation and Makefile | Ranke Johannes | 1 | -22/+53 | |
| The Makefile was adjusted to the way used in other packages of mine. Note that, @inheritParams does not work for superclasses yet, see https://github.com/r-lib/roxygen2/issues/996, so some function parameters are documented twice. | |||||
| 2023-11-11 | Start new version, rename pp to ppp, more docs | Ranke Johannes | 1 | -3/+141 | |
| 2023-11-10 | Make an RStudio project and improve the docs | Ranke Johannes | 1 | -15/+130 | |
| 2022-11-11 | Update docs, use run.sh on travis | Johannes Ranke | 1 | -51/+51 | |
| 2021-11-18 | Use reticulate instead of PythonInR, alanwood has moved | Johannes Ranke | 1 | -3/+17 | |
| Because the pesticide compendium at alanwood.net has moved to bcpc.org, we need to depend on a development branch of webchem at the moment. | |||||
| 2020-10-13 | Temporarily remove @example tags | Johannes Ranke | 1 | -17/+256 | |
| Due to r-lib/roxygen2#1158 | |||||
| 2019-02-19 | Fix example | Johannes Ranke | 1 | -1/+1 | |
| 2019-02-19 | Only plot when a Picture object is there | Johannes Ranke | 1 | -2/+2 | |
| grConvert is not needed for plotting | |||||
| 2019-02-19 | Skip plotting in examples if grConvert is missing | Johannes Ranke | 1 | -2/+6 | |
| 2018-05-18 | Revisited soil degradation and sorption | Johannes Ranke | 1 | -1/+7 | |
| 2018-05-16 | Vapour pressure and water solubility, use remark | Johannes Ranke | 1 | -0/+4 | |
| instead of comment, as comment is a special attribute in R | |||||
| 2016-12-19 | Make the pdf structures larger, update docs | Johannes Ranke | 1 | -1/+1 | |
| 2016-12-05 | Use new rdkit drawing code | Johannes Ranke | 1 | -0/+2 | |
| This is SVG only, therefore use grConvert to convert to postscript before importing using grImport. SVG size is currently hardcoded. | |||||
| 2016-10-15 | Meta infos for pdf and self$Picture, png function | Johannes Ranke | 1 | -0/+4 | |
| 2016-09-27 | PythonInR optional, adapt to current webchem | Johannes Ranke | 1 | -3/+4 | |
| 2015-10-16 | Some improvements, especially in loading chyaml | Johannes Ranke | 1 | -3/+5 | |
| 2015-09-28 | Several changes heading for a release to the public | Johannes Ranke | 1 | -2/+10 | |
| - Add tests - Add staticdocs - Documentation improvements - Several small code improvements | |||||
| 2015-09-11 | Working version with basic functionality | Johannes Ranke | 1 | -1/+4 | |
| 2015-08-26 | Initial commit | Johannes Ranke | 1 | -0/+33 | |
 |
index : chents | |
| Chemical entities as R objects (also on github) | Johannes Ranke |
| summaryrefslogtreecommitdiff |