mkin - Fitting kinetic models to chemical degradation data (also on github)

Age	Commit message (Collapse)	Author	Files	Lines
2023-04-17	Improve docs of multistart method	Johannes Ranke	1	-0/+0

2023-04-16	Make the template work on Windows (with RStudio)	Johannes Ranke	1	-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.
2023-04-15	Increase test coverage	Johannes Ranke	1	-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).
2023-04-15	Make predefined symbols safer	Johannes Ranke	1	-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.
2023-01-03	Neutral names for code chunks in the template	Johannes Ranke	1	-5/+4

2023-01-03	Improve template text, use neutral name for dll_dir	Johannes Ranke	1	-6/+6

2023-01-03	Improved skeleton for hierarchical fits	Johannes Ranke	1	-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.
2022-12-22	Improve code formatting in template skeleton	Johannes Ranke	1	-1/+3

2022-12-19	Rename template folder, create format	Johannes Ranke	3	-34/+11
	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.
2022-12-19	Template and spreadsheet for hierarchical kinetics	Johannes Ranke	2	-0/+189
	The template only shows parent data evaluation without covariate models for now. The spreadsheet will also be useful for unit testing of the read_spreadsheet function.