chents - Chemical entities as R objects (also on github)

Age	Commit message (Collapse)	Author	Files	Lines
13 days	Improve test coverage and use testthat 3rd editionHEAD main	Ranke Johannes	3	-38/+39

13 days	Adapt to new SMILES names at PubChem	Ranke Johannes	2	-8/+16
	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
2024-08-05	Fix a bug introduced by the last commit	Johannes Ranke	1	-1/+1

2021-11-19	Skip BCPC for travis	Johannes Ranke	1	-0/+1

2021-11-19	Update tests and logs	Johannes Ranke	2	-5/+5

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
2020-10-13	Temporarily remove @example tags	Johannes Ranke	1	-2/+2
	Due to r-lib/roxygen2#1158
2019-02-19	Fix check for rdkit availability	Johannes Ranke	1	-0/+6
	Also remove python-rdkit from the travis config as its version is too old on travis (Ubuntu trusty)
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	2	-10/+5

2015-09-28	Several changes heading for a release to the public	Johannes Ranke	2	-0/+46
	- Add tests - Add staticdocs - Documentation improvements - Several small code improvements