mkin/tests/testthat, branch v0.9.50.1 Fitting kinetic models to chemical degradation data (also on github) https://cgit.jrwb.de/mkin/atom?h=v0.9.50.1 2020-05-11T15:47:36Z Release to CRAN 2020-05-11T15:47:36Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T15:47:36Z urn:sha1:feca0008dcf662bba5c728096c4e63b923b8979b Add analytical solution for DFOP-SFO 2020-05-11T13:20:53Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T13:00:25Z urn:sha1:6308e7d7898d4f064d321d97d162c6752c22b362 This is about twice as fast as deSolve compiled in the case of FOCUS D Analytical solutions for all SFO variants 2020-05-11T11:43:40Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T11:43:40Z urn:sha1:b36ae3d710858ee3ff2907eb2d780e0dff48a4f3 Don't run visual tests on r-devel for now 2020-05-11T08:09:39Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T08:09:39Z urn:sha1:576fbc9d86f4db3d1be2fbd4e97b3fcd58f43c2b https://github.com/r-lib/vdiffr/issues/86 Reduce precision of traced parameters, formatting 2020-05-11T07:05:25Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T07:05:25Z urn:sha1:adb597eef6ef840ef28486dbe3d93dc62b097a6d Avoid merge() and data.frame() in cost function 2020-05-11T03:18:32Z Johannes Ranke jranke@uni-bremen.de 2020-05-11T03:15:19Z urn:sha1:234c9059a95e104917e488a6ddd2313234a96cdc also for deSolve and eigenvalue based solutions. This noticeably increases performance for these methods, see test.log and benchmark vignette. Default to analytical for coupled models if available 2020-05-10T19:53:00Z Johannes Ranke jranke@uni-bremen.de 2020-05-10T19:53:00Z urn:sha1:d113cd79b178fdc91aecb894707ed356129dfb75 This revealed that transforming rates is necessary for fitting the analytical solution of the SFO-SFO model to the FOCUS D dataset. Benchmarks show that fitting coupled models with deSolve got a bit slower through the latest changes Avoid the call to merge for analytical solutions 2020-05-09T19:18:42Z Johannes Ranke jranke@uni-bremen.de 2020-05-09T19:18:42Z urn:sha1:efab37957381919c21d874906ce870f4941c760a This increases performance up to a factor of five! Roxygenize, adapt tests 2020-05-08T07:00:20Z Johannes Ranke jranke@uni-bremen.de 2020-05-08T07:00:20Z urn:sha1:f6f8ca5142020c2c5b0628bdcae1e2d00b80c6d5 Another overhaul of analytical solutions 2020-05-07T20:14:19Z Johannes Ranke jranke@uni-bremen.de 2020-05-07T20:13:33Z urn:sha1:92bd33824bde6b6b21bfc7e30953092a74d3cce5 Still in preparation for analytical solutions of coupled models