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2023-04-17Improve docs of multistart methodJohannes Ranke1-0/+0
2023-04-16Make the template work on Windows (with RStudio)Johannes Ranke1-4/+8
It seems that we cannot use stored DLLs (for pathway fits) on clusters when using Windows, where we use PSOCK clusters. Although it works on winbuilder in the tests in tests/testthat/test_compiled.R. Maybe it is something RStudio specific.
2023-04-15Increase test coverageJohannes Ranke1-2/+14
Also, using mkin analytical solutions for more than one observed variable is not supported (but could be if out_values would be reordered).
2023-04-15Make predefined symbols saferJohannes Ranke1-4/+20
We still need to create a parallel processing cluster _after_ creating a compiled model that is moved to a user defined location, at least I did not find another way to make it work. This is not a problem with parallel processing without a cluster, which is not available on Windows.
2023-01-03Neutral names for code chunks in the templateJohannes Ranke1-5/+4
2023-01-03Improve template text, use neutral name for dll_dirJohannes Ranke1-6/+6
2023-01-03Improved skeleton for hierarchical fitsJohannes Ranke1-15/+166
Now with working pathway fits using SFORB-SFO2 (only two parallel metabolites instead of three) as the data for compound Ia was not sufficient for a reliable fit.
2022-12-22Improve code formatting in template skeletonJohannes Ranke1-1/+3
2022-12-19Rename template folder, create formatJohannes Ranke3-0/+166
Instead of rmarkdown::pdf_document, mkin::hierarchical_kinetics is used as a document format in the template. In this way, the template file can be freed from some R code and yaml options that the average user does not have to be aware of.

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