mkin/R/endpoints.R, branch v0.9.46Fitting kinetic models to chemical degradation data (also on github)https://erac.jrwb.de/mkin/atom?h=v0.9.462016-11-17T17:23:31ZRemove trailing whitespace, clean headers2016-11-17T17:23:31ZJohannes Rankejranke@uni-bremen.de2016-11-17T17:14:32Zurn:sha1:f3f415520c89f9d8526bf6fadc862ebd44be220d
Also ignore test.R in the top level directory, as it is not meant to
be public
Fix a bug in the listing of formation fractions2016-06-09T10:35:02ZJohannes Rankejranke@uni-bremen.de2016-06-09T10:35:02Zurn: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 error message for SFORB in endpoints, updates2015-07-20T07:58:53ZJohannes Rankejranke@uni-bremen.de2015-07-20T07:22:03Zurn:sha1:c9e245f88fc8c6b7776353e3b2fc2dd7451bd97bImprove calculation of DT90 in endpoints(), check and test2015-06-30T12:17:13ZJohannes Rankejranke@uni-bremen.de2015-06-30T12:17:13Zurn:sha1:438a889c37ffdf8f0c6585092da6abdb63b4575eLow-level generation of compiled models2015-06-20T01:59:56ZJohannes Rankejranke@uni-bremen.de2015-06-19T23:06:24Zurn:sha1:062b9cc1d084e8bb5e552076fc48ade4b3050644
As it is unclear if and when ccSolve will be published on CRAN,
the generation, compilation and use of the C version of the
system of differential equations was developed for mkin, inspired and
guided by the code from the ccSolve package. Many thanks again to
Karline Soetaert for all of her work on this and other R packages.
Now all model types, including the Hockey-Stick model for the parent
compund and the IORE model for parent and/or metabolites can be compiled.
Nearly complete support for IORE, pending mkinerrmin2014-07-14T17:07:54ZJohannes Rankejranke@uni-bremen.de2014-07-14T17:07:54Zurn:sha1:a69bf39427ff4f93eebdc8bceacb8174ff13c085Support formation fractions without sink pathway, updates2014-07-01T22:25:00ZJohannes Rankejranke@uni-bremen.de2014-07-01T21:23:52Zurn:sha1:71d43b104999d7aee96d35ff2a9006f739d2df60Reorder endpoints in R/endpoints.R, update vignettes2014-06-27T18:20:56ZJohannes Rankejranke@uni-bremen.de2014-06-27T18:20:56Zurn:sha1:79df7845e8d97af413c3b274ca3b31f0b4ca6ab0Avoid calculation of formation fractions if fitted2014-06-26T11:08:17ZJohannes Rankejranke@uni-bremen.de2014-06-26T11:08:17Zurn:sha1:db1646611b4955637226b88d3a07203e5bd04eb7Fix naming of SFORB DT50_bx values, fix docs2014-06-26T09:42:37ZJohannes Rankejranke@uni-bremen.de2014-06-26T09:42:37Zurn:sha1:787f32a83f08ecd77e0d043bcc17010eecb93fe3