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I am postponing my attempts to get the nlmixr interface to CRAN, given
some problems with nlmixr using R-devel under Windows, see
https://github.com/nlmixrdevelopment/nlmixr/issues/596
and
https://github.com/r-hub/rhub/issues/512,
which is fixed by the removal of nlmixr from the testsuite.
For the tests to be more platform independent, the biphasic mixed
effects models test dataset was defined in a way that fitting
should be more robust (less ill-defined).
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Evaluations with nlme, saemix and nlmixr are included
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- All degradation models are specified as ODE models. This appears to be
fast enough
- Error models are being translated to nlmixr as close to the mkin error
model as possible. When using the 'saem' backend, it appears not to be
possible to use the same error model for more than one observed variable
- No support yet for models with parallel formation of metabolites, where
the ilr transformation is used in mkin per default
- There is a bug in nlmixr which appears to be triggered if the data are
not balanced, see nlmixrdevelopment/nlmixr#530
- There is a print and a plot method, the summary method is not finished
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Also bump version to 1.0.3.
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Run make testcheck to regenerate logs with merge conflicts
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mkinfit: Keep model names stored in mkinmod objects, avoiding their loss in gmkin
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Also after the upgrade from buster to bullseye of my local system, some
test results for saemix have changed.
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Remove tests relying on non-convergence of the FOMC fit to the FOCUS A
dataset, as this is platform dependent. After the upgrade, the fit
converges on this system as well, although neither ATLAS is used, nor R
was configured disabling long doubles (these were the conditions under
which the tests failed on CRAN).
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The errors in the example code were in the \dontrun sections, so they
were not caught by CRAN checks. In addition, the static help files
generated with pkgdown were cached, so I noticed the errors only
after completely regenerating the documentation for version 1.0.0.
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- Improve authorship and copyright information
- Prepare pkgdown config
- Remove dependence on saemix as we need the development version which
is not ready for CRAN
- Temporarily remove saemix interface to check code coverage of the rest
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Address release critical check and test issues
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Also fix incompatibility with saem fits from earlier mkin versions
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Depends on inline >= 0.16.2 (including the bug fixes from
eddelbuettel/inline#18), which provides 'moveDLL' to store the DLL for a
compiled function in a safe place in case the argument 'dll_dir' is
specified in the call to 'mkinmod'.
Huge thanks to Dirk @eddelbuettel for his review and support
for the work on the inline package.
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With automatic reloading in mkinfit and mkinpredict in case the
DLL is not loaded and the original DLL path has been cleaned up.
Depends on jranke/inline@974bdea04fcedfafaab231e6f359c88270b56cb9
See inline#13
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By depending on parallel instead of importing it, functions to set up
and stop a cluster are always available when mkin is loaded.
The use of multicore processing in mmkin on Windows is now documented in
the help file, which brings mkin closer to a version 1.0 #9.
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- D24_2014 dataset on aerobic soil degradation of 2,4-D from the EU
assessment as mkindsg object with metadata
- f_time_norm_focus() to do time-step normalisation using the FOCUS
method
- focus_soil_moisture data with default moisture contents at pF1,
pF 2 and pF 2.5 for USDA soil types from FOCUS GW guidance
- Dataset generation scripts in inst/dataset_generation
- Depend on R >= 2.15.1 in order to facilitate the use of
utils::globalVariables()
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The experimental nlme version in my drat repository contains the
variance function structure varConstProp which makes it possible to use
the two-component error model in generalized nonlinear models using
nlme::gnls() and in mixed effects models using nlme::nlme().
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The method is no longer necessary, now that Bug 17761 is fixed upstream
https://bugs.r-project.org/bugzilla/show_bug.cgi?id=17761
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saemix_data depends on a development version of saemix, see
pull request saemixdevelopment/saemixextension#2
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This is about twice as fast as deSolve compiled in the case of FOCUS D
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Still in preparation for analytical solutions of coupled models
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Preparing for symbolic solutions for more than one compound
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