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2025-10-22Add new files for the transition to README.rmdRanke Johannes5-0/+0
2025-10-22Improve messages and READMERanke Johannes1-1/+1
Use README.rmd in order to be able to include demo code and output in the README.
2025-10-22Adapt to new SMILES names at PubChemRanke Johannes4-5/+5
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
2024-12-02Add @description tags to R6 methodsJohannes Ranke3-22/+23
Otherwise, the descriptions of the methods get mixed up
2024-11-28Improve README and example codeRanke Johannes1-6/+2
2024-11-28Polish documentation and MakefileRanke Johannes4-61/+111
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.
2023-11-11Fix to the pai documentationJohannes Ranke1-7/+3
2023-11-11Start new version, rename pp to ppp, more docsRanke Johannes4-82/+265
2023-11-10Make an RStudio project and improve the docsRanke Johannes2-18/+130
2022-11-11Update docs, use run.sh on travisJohannes Ranke3-89/+89
2021-11-19Better approach to skip bcpc on travis, update docsJohannes Ranke1-0/+7
2021-11-19Add plot example, update static docsJohannes Ranke1-0/+7
2021-11-18Use reticulate instead of PythonInR, alanwood has movedJohannes Ranke2-6/+27
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.
2020-10-13Temporarily remove @example tagsJohannes Ranke5-43/+398
Due to r-lib/roxygen2#1158
2019-02-19Fix exampleJohannes Ranke1-1/+1
2019-02-19Only plot when a Picture object is thereJohannes Ranke2-3/+3
grConvert is not needed for plotting
2019-02-19Skip plotting in examples if grConvert is missingJohannes Ranke2-3/+9
2018-05-18Revisited soil degradation and sorptionJohannes Ranke1-1/+7
2018-05-16Vapour pressure and water solubility, use remarkJohannes Ranke1-0/+4
instead of comment, as comment is a special attribute in R
2016-12-19Make the pdf structures larger, update docsJohannes Ranke7-7/+3
2016-12-05Use new rdkit drawing codeJohannes Ranke1-0/+2
This is SVG only, therefore use grConvert to convert to postscript before importing using grImport. SVG size is currently hardcoded.
2016-10-15Meta infos for pdf and self$Picture, png functionJohannes Ranke1-0/+4
2016-10-14Better handling of ambiguous names and "source"sJohannes Ranke1-1/+1
2016-09-27PythonInR optional, adapt to current webchemJohannes Ranke7-9/+10
2015-10-16Some improvements, especially in loading chyamlJohannes Ranke2-5/+6
2015-09-28Several changes heading for a release to the publicJohannes Ranke3-2/+57
- Add tests - Add staticdocs - Documentation improvements - Several small code improvements
2015-09-11Working version with basic functionalityJohannes Ranke4-1/+64
2015-08-26Initial commitJohannes Ranke2-0/+60

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