chents/tests/testthat, branch mainChemical entities as R objects (also on github)https://erac.jrwb.de/chents/atom?h=main2026-03-19T08:37:51ZAdapt test2026-03-19T08:37:51ZJohannes Rankejohannes.ranke@jrwb.de2026-03-19T08:36:26Zurn:sha1:32caaedcc6b6b8addc9f23fce9dca4188f692fed
Also, only check availability of PubChem and BCPC once, this should
really be sufficient.
Check services directly before use in tests2026-03-05T15:22:50ZJohannes Rankejohannes.ranke@jrwb.de2026-03-05T15:22:50Zurn:sha1:3612fcc80c900d95a539a7fa228eecd4429e7c72
This is to avoid test failures on the MacOS arm64 systems currently
occurring on R-Universe
Make test robust against unavailable services2026-03-05T13:32:30ZJohannes Rankejohannes.ranke@jrwb.de2026-03-05T13:32:30Zurn:sha1:0d73256947c7c79890a5f94622f0948645ea4da7
Test logs are without internet.
Do not depend on RDKit in pai test2026-03-05T10:47:12ZJohannes Rankejohannes.ranke@jrwb.de2026-03-05T10:47:12Zurn:sha1:d6c7e8f5a0d0d4b564addf5b447bed6b3ba03b5e
This hopefully addresses test failures observed on R-Universe.
Update coverage report.
Update test for current PubChem response2025-11-27T12:25:14ZRanke Johannesjohannes.ranke@agroscope.admin.ch2025-11-27T12:25:14Zurn:sha1:dc7182c92c75159944665bc23e82d5c98489163bImprove test coverage and use testthat 3rd edition2025-10-22T14:27:37ZRanke Johannesjohannes.ranke@agroscope.admin.ch2025-10-22T14:27:37Zurn:sha1:7c0e06c053303ea3f35fad3236ee5b3d930e7f08Adapt to new SMILES names at PubChem2025-10-22T09:57:27ZRanke Johannesjohannes.ranke@agroscope.admin.ch2025-10-22T08:35:37Zurn:sha1:adc69bd4e1543a229fbee543940f8b92fd499682
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
Fix a bug introduced by the last commit2024-08-05T17:03:21ZJohannes Rankejranke@uni-bremen.de2024-08-05T17:03:21Zurn:sha1:77189d666eb39d2660245c2f008175dc4560f647Skip BCPC for travis2021-11-19T00:57:57ZJohannes Rankejranke@uni-bremen.de2021-11-19T00:57:57Zurn:sha1:ee867b11c38a6c0d97b999986f78cd014fd2bfd1Update tests and logs2021-11-18T23:18:22ZJohannes Rankejranke@uni-bremen.de2021-11-18T23:18:22Zurn:sha1:0056584e5168df75bca159ddf3469aa07457b77d