| Age | Commit message (Collapse) | Author | Files | Lines | |
|---|---|---|---|---|---|
| 2025-10-22 | Improve test coverage and use testthat 3rd editionHEADmain | Ranke Johannes | 1 | -19/+10 | |
| 2025-10-22 | Adapt to new SMILES names at PubChem | Ranke Johannes | 1 | -4/+7 | |
| 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 | |||||
| 2021-11-19 | Skip BCPC for travis | Johannes Ranke | 1 | -0/+1 | |
| 2021-11-19 | Update tests and logs | Johannes Ranke | 1 | -4/+4 | |
| 2020-10-13 | Adapt to changes in webchem | Johannes Ranke | 1 | -4/+4 | |
| Unfortunately, tests only pass sometimes, it seems PubChem is not always responding | |||||
| 2019-02-19 | Start using travis and update a test | Johannes Ranke | 1 | -1/+1 | |
| It seems the canonical SMILES for glyphosate on PubChem has dropped the designation of the two charges | |||||
| 2016-10-14 | Better handling of ambiguous names and "source"s | Johannes Ranke | 1 | -12/+10 | |
| 2016-10-13 | Fix retrieving pubchem infos for ambiguous names | Johannes Ranke | 1 | -4/+4 | |
| 2015-10-16 | Some improvements, especially in loading chyaml | Johannes Ranke | 1 | -4/+2 | |
| 2015-09-28 | Several changes heading for a release to the public | Johannes Ranke | 1 | -0/+25 | |
| - Add tests - Add staticdocs - Documentation improvements - Several small code improvements | |||||
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index : chents | |
| Chemical entities as R objects (also on github) | Johannes Ranke |
| summaryrefslogtreecommitdiff |