mkin/DESCRIPTION, branch v0.9.43 Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v0.9.43 2016-06-27T23:30:00Z Avoid multicore fits in vignettes for passing CRAN checks 2016-06-27T23:30:00Z Johannes Ranke jranke@uni-bremen.de 2016-06-27T22:44:48Z urn:sha1:ef7ccf68e086bac3e75858bd4b97e3a2c6872aa1 Also a small fix to the FOCUS Z vignette, and an update of the static documentation generated by staticdocs. Convenience wrapper plot_sep, further vignette updates 2016-06-27T22:24:46Z Johannes Ranke jranke@uni-bremen.de 2016-06-27T22:24:46Z urn:sha1:4672c2b3fd6c22e63b00ee5038998dd68a885c25 Bump version for publication, update staticdocs 2016-06-27T19:21:35Z Johannes Ranke jranke@uni-bremen.de 2016-06-27T19:21:35Z urn:sha1:ccc4759131cf6bcb3669e1b6042687fc5902e72b Convert main vignette to Rmd/html, add_err(), fixes 2016-06-24T15:52:47Z Johannes Ranke jranke@uni-bremen.de 2016-06-24T15:42:42Z urn:sha1:5f4a25fad9a5323611855145e6b31267b3ed9e50 Change the title of the package, small bugfix 2016-06-17T12:33:28Z Johannes Ranke jranke@uni-bremen.de 2016-06-17T12:33:28Z urn:sha1:2ca43bb78294dd2dc85816a0e90d4e7d869a86a8 Fix a bug in the listing of formation fractions 2016-06-09T10:35:02Z Johannes Ranke jranke@uni-bremen.de 2016-06-09T10:35:02Z urn:sha1:95bd5b4c381905a9fcbb179836b7fa861e7e5f3f The bug could only occur if a parent compound with a metabolite would end in the letter 'f' and was therefore not noticed earlier Avoid unnecessary stop in edge case, improve warnings 2016-04-21T15:37:54Z Johannes Ranke jranke@uni-bremen.de 2016-04-21T15:34:38Z urn:sha1:0b36fb666b84321814eabbc1a25687ee70d789e6 mkinfit: Do not error out in cases where the fit converges, but the Jacobian for the untransformed model cost can not be estimated. Give a warning instead and return NA for the t-test results. summary.mkinfit: Give a warning message when the covariance matrix can not be obtained. A test has been added to containing such an edge case to check that the warnings are correctly issued and the fit does not terminate. Remove outdated reference to the inline package 2016-03-25T09:00:13Z Johannes Ranke jranke@uni-bremen.de 2016-03-25T08:58:16Z urn:sha1:ae5e2bf30393a1a97dcc2da4f8e8fd7be7028117 Address feedback from CRAN submission 2016-03-24T07:28:23Z Johannes Ranke jranke@uni-bremen.de 2016-03-24T06:26:55Z urn:sha1:d432a48c8e7cc2df95d4952af415f18809f60409 - Put the CRAN URL that the badge points to into canonical form. I had missed the requirement to use the canonical form before, as the R CMD check message complained about a (possibily) invalid URL, so I overlooked the explanation later in the check log. Thanks to Uwe for his patience. Fix checked with winbuilder. - Slightly reduced the build time for the compiled_models vignette by skipping the warm-up. 3 repetitions are necessary for the autoplot method to work Added 'from_max_mean' to 'mkinfit'. 2016-03-23T17:00:06Z Johannes Ranke jranke@uni-bremen.de 2016-03-23T16:03:09Z urn:sha1:7875935fdfc3c55e0ef328b3c3a4512a30011df1 - Now it is easier to do decline kinetics from the maximum occurrence - Static documentation rebuilt by staticdocs::build_site() - Fixed an URL in the README, thanks to the win-builder check with R-devel