mkin/R/mkinpredict.R, branch v0.9.49.7 Fitting kinetic models to chemical degradation data (also on github) https://erac.jrwb.de/mkin/atom?h=v0.9.49.7 2019-10-25T00:03:54Z Use roxygen for functions and methods 2019-10-25T00:03:54Z Johannes Ranke jranke@uni-bremen.de 2019-10-24T22:37:42Z urn:sha1:0a3eb0893cb4bd1b12f07a79069d1c7f5e991495 Add the logistic model 2019-02-21T13:50:27Z Johannes Ranke jranke@uni-bremen.de 2019-02-21T13:34:45Z urn:sha1:d89e3d22eb9dc383897b09e9c5aa1b57f65cdbf0 Make mkinpredict generic and write a method for fits 2018-09-18T13:15:55Z Johannes Ranke jranke@uni-bremen.de 2018-09-18T13:15:55Z urn:sha1:850aa313ba60c7b784d96cfdc8d4c22f2beb661a Remove trailing whitespace, clean headers 2016-11-17T17:23:31Z Johannes Ranke jranke@uni-bremen.de 2016-11-17T17:14:32Z urn:sha1:f3f415520c89f9d8526bf6fadc862ebd44be220d Also ignore test.R in the top level directory, as it is not meant to be public Low-level generation of compiled models 2015-06-20T01:59:56Z Johannes Ranke jranke@uni-bremen.de 2015-06-19T23:06:24Z urn: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. Order of parameters needs to be right for compiled models 2015-04-16T11:21:36Z Johannes Ranke jranke@uni-bremen.de 2015-04-16T11:21:36Z urn:sha1:e610eb47f460bdb16a1160c9e4cc6fd7051d2546 Update copyright header, improve documentation of solution_type 2015-04-16T09:27:56Z Johannes Ranke jranke@uni-bremen.de 2015-04-16T09:06:39Z urn:sha1:c504e823809aa8a299ed5326a22505f82d891ce5 Check compiled mkinmod versions in examples and tests 2015-04-16T09:00:53Z Johannes Ranke jranke@uni-bremen.de 2015-04-16T09:00:53Z urn:sha1:ec9e65053b214fa30e8b947ccbc47930eeaa01a4 Tests all pass (Linux) Compile differential equation models with ccSolve package 2015-04-14T17:50:57Z Johannes Ranke jranke@uni-bremen.de 2015-04-14T17:50:57Z urn:sha1:b21c601052f85e392e48d903b8903a1a392fe786 If the ccSolve package is available, and time is not in the right hand side of the equations (i.e. if only SFO and SFORB models are used), the differential equation model is compiled from auto-generated C code. Currently, one test (FOCUS 2006 D SFO_SFO) fails Nearly complete support for IORE, pending mkinerrmin 2014-07-14T17:07:54Z Johannes Ranke jranke@uni-bremen.de 2014-07-14T17:07:54Z urn:sha1:a69bf39427ff4f93eebdc8bceacb8174ff13c085