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2019-04-10Adapt tests, vignettes and examplesJohannes Ranke1-126/+51
- Write the NEWS - Static documentation rebuilt by pkgdown - Adapt mkinerrmin - Fix (hopefully all) remaining problems in mkinfit
2019-04-04Direct error model fitting worksJohannes Ranke1-29/+17
- No IRLS required - Removed optimization algorithms other than Port - Removed the dependency on FME - Fitting the error model 'obs' is much faster for the FOCUS_2006_D dataset and the FOMC_SFO model (1 second versus 3.4 seconds) - Vignettes build slower. Compiled models needs 3 minutes instead of 1.5 - For other vignettes, the trend is less clear. Some fits are faster, even for error_model = "const". FOCUS_Z is faster (34.9 s versus 44.1 s) - Standard errors and confidence intervals are slightly smaller - Removed code for plotting during the fit, as I hardly ever used it - Merged the two cost functions (using transformed and untransformed parameters) into one log-likelihood function
2018-11-23Add logLik method to enable AIC() on mkinfit modelsJohannes Ranke1-1/+4
Further relax two tests to pass build on Travis
2018-09-13Enable new error model in gmkinJohannes Ranke1-2/+3
Also improve the irls fitting of the error model and add a test for FOCUS_2006_C where the second component of the error model is zero
2018-09-06Small doc corrections and improvementsJohannes Ranke1-7/+8
2018-07-18Correct references to the Rocke and Lorenzato modelJohannes Ranke1-3/+6
Rename 'sigma_rl' to 'sigma_twocomp' as the Rocke and Lorenzato model assumes lognormal distribution for large y. Rebuild static documentation.
2018-01-30Reweighting with two-component error modelJohannes Ranke1-6/+22
Static documentation except articles rebuilt by pkgdown
2016-11-18Improve examples for showing with pkgdownJohannes Ranke1-13/+15
- Use quiet= TRUE in dontrun sections - Use mkinsub in model definitions - Avoid \code{\link{}} in titles
2016-11-18Static documentation rebuilt by pkgdown::build_site(run_dont_run = TRUE)Johannes Ranke1-2/+2
Using branch 'jranke' on jranke/pkgdown, fixing issues hadley/pgkdown#178 and hadley/pkgdown#213 Remove plot=TRUE from mkinfit calls also in dontrun sections of examples to avoid a flood png files documenting the progress of the fit.
2016-11-17Remove trailing whitespace, clean headersJohannes Ranke1-29/+29
Also ignore test.R in the top level directory, as it is not meant to be public
2016-06-27Improve listing of weights in output, update NEWSJohannes Ranke1-6/+5
2016-03-23Added 'from_max_mean' to 'mkinfit'.Johannes Ranke1-0/+8
- 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
2015-07-22Remove periods in help file titlesJohannes Ranke1-1/+1
2015-06-29Quiet fitting in examples and more links for static docs.Johannes Ranke1-0/+7
2015-06-23Small documenation changesJohannes Ranke1-1/+1
2015-06-20Low-level generation of compiled modelsJohannes Ranke1-1/+1
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.
2015-06-05Make the examples that are run more quietJohannes Ranke1-2/+2
2015-05-19Include output in README, use mkinsub() in example codeJohannes Ranke1-14/+14
2015-05-18Make checking faster, testing is done by testsJohannes Ranke1-13/+6
2015-05-15Merge branch 'master' into compile_odesJohannes Ranke1-0/+1
2015-05-15Reduce time to run mkinfit exampleJohannes Ranke1-0/+2
2015-04-18Add a vignette showing the performance of compiled modelsJohannes Ranke1-6/+10
2015-04-16Update copyright header, improve documentation of solution_typeJohannes Ranke1-2/+3
2015-04-16Check compiled mkinmod versions in examples and testsJohannes Ranke1-3/+18
Tests all pass (Linux)
2015-04-16Correctly close braces of examples sectionJohannes Ranke1-0/+1
2015-04-14Compile differential equation models with ccSolve packageJohannes Ranke1-2/+3
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
2014-11-12Merge branch 'master' of https://github.com/jranke/mkin into ioreJohannes Ranke1-1/+1
2014-11-12IORE working for parent and metabolites, introduce mkinsubJohannes Ranke1-0/+6
2014-11-12Fix the typo in the help page, tooJohannes Ranke1-1/+1
2014-10-15Switch to using the Port algorithm per defaultJohannes Ranke1-12/+12
2014-10-14Add a comment about transforming fractionsJohannes Ranke1-4/+10
2014-07-24Improve formulationJohannes Ranke1-1/+1
2014-07-24Semantic correction in help fileJohannes Ranke1-1/+1
2014-07-24Bump version, better default for state.iniJohannes Ranke1-0/+1
2014-07-21Bugfix, model shorthand, state.ini[[1]] from observed dataJohannes Ranke1-6/+16
- The bug occurred when using transform_rates=FALSE for FOMC, DFOP or HS - Make it possible to use mkinfit("SFO", ...) - Take initial mean value at time zero for the variable with the highest value in the observed data - Update of vignette/FOCUS_L - Improve the Makefile to build single vignettes
2014-07-17Handle non-convergence and maximum number of iterationsJohannes Ranke1-4/+14
For details see NEWS.md
2014-07-02Support formation fractions without sink pathway, updatesJohannes Ranke1-4/+9
2014-04-25McCall 2,4,5-T dataset, lower bound for transform_rates=FALSEJohannes Ranke1-0/+1
2014-04-22Possibility to fit without parameter transformationJohannes Ranke1-0/+18
2013-12-04Make it possible to use different ode solvers=1-0/+6
2013-10-22Commented out some of the mkinfit examples using \dontrun{} markup as they ↵jranke1-1/+3
run a bit long git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@124 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-17- See ChangeLog entry for today (2 small bugfixes and lots of GUI progress)jranke1-1/+1
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@117 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-11Some additions, fixes and formatting of the help files for mkinfit and ↵jranke1-44/+56
mkinpredict. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@110 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-10- IRLS is implementedjranke1-8/+56
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@109 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-04-14- Update the TODO list, setting some requirements for version 1.0jranke1-0/+42
- Check that initial values specified using parms.ini are actually needed for the model, stop otherwise - List all formation fractions in the same place in the summary, also if they were fitted in the model - Include an FOMC model coupled to two metabolites in the unit tests - Some updates needed because of the above - Update of static documentation including the vignettes - Update of the mkin vignettes in the vignettes directory git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@82 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-02-16- Some maintenance fixesjranke1-1/+1
- Start of the examples vignette git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@61 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2012-07-03- Add rtol argument in order to increase the precision of deSolve basedjranke1-3/+7
predictions for complex models - Improve default values for atol and set rtol default to 1e-10 git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@49 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2012-04-24- Added the reference fit data for FOCUS 2006 datasets from the kinfit packagejranke1-2/+6
- Used these data in unit tests for parent only models - Fixed SFORB data and calculation of formation fractions along the way - Reintroduced the test for the Schaefer 2007 data - Got rid of the mkinmod unit tests - they are too hard to maintain and the mkinfit tests test the model definitions as well git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@32 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2012-04-23- Some fixes to mkinfit, to account for the changes in mkinmodjranke1-6/+17
- See TODO for what remains to be done (not complete) git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@29 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2012-04-03- Separated model prediction out into a separate functionjranke1-4/+2
- Created separate functions for parameter transformations (not documented yet) - Fitting of analytical models works - SFO_SFO model works, complex models do not at the moment - summary.mkinfit not operational at the moment git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@21 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

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