mkin/tests/testthat/_snaps, branch v1.2.0 Fitting kinetic models to chemical degradation data (also on github) https://erac.jrwb.de/mkin/atom?h=v1.2.0 2022-11-14T19:03:42Z Automatic starting parameters for saem.mmkin 2022-11-14T19:03:42Z Johannes Ranke jranke@uni-bremen.de 2022-11-14T19:03:42Z urn:sha1:21ad91256dc29423bd905de5c298fd23862b1f3b For the case of mkin transformations. This gives faster convergence, and appears to avoid problems with numeric ODE solutions Rename parhist to parplot and make it generic 2022-10-28T11:39:15Z Johannes Ranke jranke@uni-bremen.de 2022-10-28T11:39:15Z urn:sha1:f820bf5b91be0f589de16c3e3250f5f79672df75 That parhist name was not the brightest idea, as it does not show histograms. Reduced sfo model for multistart.saem.mkin tests 2022-10-26T07:07:04Z Johannes Ranke jranke@uni-bremen.de 2022-10-26T07:07:04Z urn:sha1:3c5b2596daef4ed0ee5c38a7141fdf48dbe7c070 Remove kernel density estimate from llhist 2022-10-26T06:40:58Z Johannes Ranke jranke@uni-bremen.de 2022-10-26T06:40:58Z urn:sha1:06df20703a9390692ab1ece3ae1702a71fff05ae Try to make multistart (more) reproducible 2022-10-25T23:32:33Z Johannes Ranke jranke@uni-bremen.de 2022-10-25T23:17:30Z urn:sha1:6b910647d22e54a8c0b9c7f837af8dce150d5ee2 Make multistart work with testthat scopes 2022-10-25T22:57:40Z Johannes Ranke jranke@uni-bremen.de 2022-10-25T22:57:40Z urn:sha1:0d8521f3f60082f0fd27da00a7ac8bcef9ee5ba0 Also skip long-running test with saem using the analytical from mkin Change DFOP mixed model data in tests, updates 2022-10-25T19:45:30Z Johannes Ranke jranke@uni-bremen.de 2022-10-25T19:45:30Z urn:sha1:a8ff8bed72dc537fe70cf2995ea769d3f519f877 Summary method for mmkin objects 2022-07-21T15:43:16Z Johannes Ranke jranke@uni-bremen.de 2022-07-21T15:15:12Z urn:sha1:b703ee38ffc8877be843cf5a557dd9c32c54f977 Also, add a method for gathering convergence information and a method for gathering information on ill-defined parameters Tests before release 2022-07-12T12:44:55Z Johannes Ranke jranke@uni-bremen.de 2022-07-12T12:44:55Z urn:sha1:ab502a6aeacda7c70abe52b8c16e2a15f592a6ed Store DLL info in mkinmod objects for performance 2022-07-08T15:39:44Z Johannes Ranke jranke@uni-bremen.de 2022-07-08T15:39:44Z urn:sha1:f35e0b3d3b9f41bee2f5cc357afcb69e3aadad15 Thanks to Tomas Kalibera for his analysis of the problem on the r-package-devel mailing list and for the suggestion on how to fix it. See the current benchmark vignette for the new data on mkin 1.1.1 with R 4.2.1, with unprecedented performance.