Age | Commit message (Collapse) | Author | Files | Lines | |
---|---|---|---|---|---|
2024-08-05 | Set identifiers to NA if not initialized, add NEWS | Ranke Johannes | 8 | -260/+203 | |
2024-06-20 | Fix rdkit availability, prefer user/isomeric SMILES | Ranke Johannes | 12 | -42/+42 | |
In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined. | |||||
2023-11-12 | Import URLencode from utils, rebuild docs | Johannes Ranke | 4 | -10/+51 | |
This was caught by pkgdown apparently not loading the utils package by default. | |||||
2023-11-12 | Update to bootstrap 5 | Johannes Ranke | 9 | -479/+404 | |
2023-11-11 | Fix to the pai documentation | Johannes Ranke | 5 | -9/+6 | |
2023-11-11 | Start new version, rename pp to ppp, more docs | Ranke Johannes | 8 | -24/+546 | |
2023-11-10 | Make an RStudio project and improve the docs | Ranke Johannes | 12 | -1264/+863 | |
2021-11-19 | Better approach to skip bcpc on travis, update docs | Johannes Ranke | 1 | -7/+14 | |
2021-11-19 | Add plot example, update static docs | Johannes Ranke | 12 | -289/+693 | |
2019-02-19 | Use rsvg instead of grConvert | Johannes Ranke | 8 | -9/+9 | |
as grConvert is not on CRAN | |||||
2019-02-19 | Fix example | Johannes Ranke | 1 | -2/+2 | |
2019-02-19 | Only plot when a Picture object is there | Johannes Ranke | 2 | -4/+4 | |
grConvert is not needed for plotting | |||||
2019-02-19 | Skip plotting in examples if grConvert is missing | Johannes Ranke | 2 | -3/+9 | |
2019-02-19 | Change package URL to github to get source code links | Johannes Ranke | 12 | -217/+406 | |
2018-03-01 | Rebuild static documentation with current pkdown | Johannes Ranke | 10 | -145/+313 | |
2017-03-15 | Some minor cosmetics and pkgdown update | Johannes Ranke | 1 | -3/+3 | |
2017-03-06 | Update pkgdown | Johannes Ranke | 1 | -1/+1 | |
2017-03-06 | Switch to pkgdown and link to pkgdown.jrwb.de | Johannes Ranke | 10 | -0/+1016 | |