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2025-10-22Improve test coverage and use testthat 3rd editionRanke Johannes1-19/+11
2025-10-22Adapt to new SMILES names at PubChemRanke Johannes1-4/+9
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
2024-08-05Fix a bug introduced by the last commitJohannes Ranke1-1/+1
2021-11-19Update tests and logsJohannes Ranke1-1/+1
2020-10-13Temporarily remove @example tagsJohannes Ranke1-2/+2
Due to r-lib/roxygen2#1158
2019-02-19Fix check for rdkit availabilityJohannes Ranke1-0/+6
Also remove python-rdkit from the travis config as its version is too old on travis (Ubuntu trusty)
2015-10-16Some improvements, especially in loading chyamlJohannes Ranke1-6/+3
2015-09-28Several changes heading for a release to the publicJohannes Ranke1-0/+21
- Add tests - Add staticdocs - Documentation improvements - Several small code improvements

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