Age | Commit message (Collapse) | Author | Files | Lines | |
---|---|---|---|---|---|
2024-08-05 | Set identifiers to NA if not initialized, add NEWS | Ranke Johannes | 1 | -31/+22 | |
2024-06-20 | Fix rdkit availability, prefer user/isomeric SMILES | Ranke Johannes | 1 | -5/+5 | |
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 | 1 | -6/+23 | |
This was caught by pkgdown apparently not loading the utils package by default. | |||||
2023-11-12 | Update to bootstrap 5 | Johannes Ranke | 1 | -76/+54 | |
2023-11-11 | Start new version, rename pp to ppp, more docs | Ranke Johannes | 1 | -7/+312 | |
2023-11-10 | Make an RStudio project and improve the docs | Ranke Johannes | 1 | -355/+452 | |
2021-11-19 | Add plot example, update static docs | Johannes Ranke | 1 | -72/+296 | |
2019-02-19 | Use rsvg instead of grConvert | Johannes Ranke | 1 | -2/+2 | |
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 | 1 | -3/+3 | |
grConvert is not needed for plotting | |||||
2019-02-19 | Skip plotting in examples if grConvert is missing | Johannes Ranke | 1 | -2/+6 | |
2019-02-19 | Change package URL to github to get source code links | Johannes Ranke | 1 | -26/+55 | |
2018-03-01 | Rebuild static documentation with current pkdown | Johannes Ranke | 1 | -32/+49 | |
2017-03-06 | Switch to pkgdown and link to pkgdown.jrwb.de | Johannes Ranke | 1 | -0/+160 | |