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2014-11-23Avoid warning triggered by models with parallel metabolitesJohannes Ranke1-1/+1
2014-10-22Save plots in different formatsJohannes Ranke1-5/+67
- Add possibility to save plots in different formats - Make it possible to exclude the legend from the plot - Update of the manual
2014-10-16Fix for the case that a workspace has no fitsJohannes Ranke1-8/+13
2014-10-16Fix saving summary filesJohannes Ranke1-7/+21
2014-10-16Prevent loading of incompatible workspace files from previous versionJohannes Ranke1-34/+47
2014-10-15Switch to using the Port algorithm per defaultJohannes Ranke1-1/+1
Actually this only changes the order of entries in the dropbox, the default is set in mkin::mkinfit().
2014-10-10Added a manual, small GUI improvementsJohannes Ranke1-7/+12
2014-10-06New static documentation, installation using repositoryJohannes Ranke1-0/+2
The Makefile was enhanced to support generating static documentation, which will also point to vignettes (e.g. a manual) that will be written in the future. Installation instructions were updated to describe the much easier installation from the newly created repository.
2014-09-30Fix updating the fit list when deletingJohannes Ranke1-5/+5
- Some attempts to improve the comments in the source code - Fix the problem that the fit list was not updated when a fit was deleted. This bug was introduced when I made it possible to sort the fit list in the GUI by changing the type of the first column in the dataframe containing the fits (f.df) on July 16.
2014-09-26Disallow deleting the last dataset/model as this is not supportedJohannes Ranke1-12/+20
2014-08-28Initial message to explain target input field in model editorJohannes Ranke1-2/+6
Thanks to Denis Weber for pointing out the need for this
2014-08-25Option to show fitting progress in separate graphics deviceJohannes Ranke1-0/+4
Turned off by default as it may be irritating to have another window pop up
2014-08-25Make it possible to save summaries as text filesJohannes Ranke1-1/+9
2014-08-23Increase the width for the list of target compartmentsJohannes Ranke1-2/+2
2014-07-31Initialise tmptextheader, close braces in statuslineJohannes Ranke1-1/+2
The initialisation of tmptextheader avoids that it shows up in the global environment after a text file is imported
2014-07-17Optimisation choice (Marq, Port, SANN), maximum number of iterationsJohannes Ranke1-6/+19
2014-07-16Fix sorting in fit list, add NEWS fileJohannes Ranke1-2/+3
2014-07-03Improve statusbar message, update dateJohannes Ranke1-2/+3
2014-05-12Fix initialisation of err variable after uploading dataJohannes Ranke1-1/+1
2014-05-12Improvement of dataset uploading. Fixes #1Johannes Ranke1-6/+7
2014-05-10Rename variables in uploaded data in long formatJohannes Ranke1-3/+7
2014-05-10Formatting of comments, ds.emptyJohannes Ranke1-30/+29
2014-05-09Set all fit options when loading a fitJohannes Ranke1-0/+4
2014-05-07Fork the gmkin GUI from mkin. See ChangeLog for detailsJohannes Ranke6-398/+0
2014-05-05Update initials selection, separate out handler functionJohannes Ranke1-4/+10
- Write a separate handler function for the Configure button for easier debugging - Update the selection combobox for initial values after pressing the Keep fit button
2014-05-02More polishing, update plot options in fit selectorJohannes Ranke1-14/+28
2014-05-02Rearrange initialisation of workspace and metadataJohannes Ranke1-63/+34
2014-05-02Improve formattingJohannes Ranke1-1/+2
2014-05-02Plot parameter confidence intervalsJohannes Ranke1-3/+14
2014-04-30Overhaul of gmkin - should be useful nowJohannes Ranke1-59/+161
- Improve widget layout + Size of widgets in left pane + Enable scrolling in left pane + Smaller plot + Control width of summary text file - Upload of data with flexible format - Parameter transformation is now optional - Get initial values from selected previous fit - Fix initial plots for the case of zero parameter values
2014-04-28Option to add residual plot to plot.mkinfitJohannes Ranke1-9/+2
2014-04-28Fix uploading of workspace filesJohannes Ranke1-0/+3
2014-04-28Complete the introduction of plot optionsJohannes Ranke1-24/+27
2014-04-26New layout for plotting and fitting, add residual plotJohannes Ranke1-122/+92
2014-03-21Small variation to last commit, in reality fixes #2Johannes Ranke1-1/+1
2014-03-21Update interval variabel list on saving a dataset, fixes #1Johannes Ranke1-0/+1
2014-02-27Format of gmkin workspace files, copyright, updatesJohannes Ranke2-33/+60
- Change the format of the workspace files of gmkin so they can be distributed in the mkin package - Add gmkin workspace datasets FOCUS_2006_gmkin and FOCUS_2006_Z_gmkin - Restrict the unit test with the Schaefer data to parent and primary metabolites as formation fraction and DT50 for A2 are higly correlated and passing the test is platform dependent. For example, the test fails in 1 out of 14 platforms on CRAN as of today - Add Eurofins Regulatory AG copyright notices - Import FME and deSolve instead of depending on them to have cleaner startup
2013-11-18Add GUI start function, keep GUI here in mkinJohannes Ranke3-4/+2
2013-11-13Squashed commit of the following:jranke1-4/+48
commit d8dbf2ad866fb9d34cd1100000b9c116219ecef6 Author: Johannes Ranke <jranke@uni-bremen.de> Date: Wed Nov 13 22:09:41 2013 +0100 Add possibility to control more mkinfit arguments from the GUI commit 8f1bae2142b37a0ff6b8989b2d1569686937f68e Author: Johannes Ranke <jranke@uni-bremen.de> Date: Wed Nov 13 20:30:11 2013 +0100 Add initial weighting choice to GUI commit c99b5c298713a7c14e8ab5604c68613d0b7af27a Author: Johannes Ranke <jranke@uni-bremen.de> Date: Wed Nov 13 16:25:31 2013 +0100 Update of TODO from git bash on Windows commit 8bf2a6f8f6bd752433f06b26b5da334e958f5166 Author: Johannes Ranke <jranke@uni-bremen.de> Date: Wed Nov 13 16:00:01 2013 +0100 Update of README using TortoiseGit git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@162 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11- Add a simple makefilejranke1-1/+0
- Add a .Rbuildignore file - Clean up unit tests a bit - Test the gwidgets notebook from the knitr demo git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@150 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-09GUI: Fixed a bug that occurred when deleting the last fit from the fit listjranke1-1/+1
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@149 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-07- Added additional plots, including residual plotsjranke1-7/+75
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@148 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-06GUI:jranke1-19/+30
- Uploading of text files works - The current summary is always shown git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@144 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-06Start to enable the import of CSV files.jranke1-0/+31
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@143 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-06- New candidate for release containing the latest changes to the GUIjranke5-724/+100
- Checking and releasing myself as r-forge has a stuffed build pipeline git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@139 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-04- Now the eigenvalue based solution for FOCUS 2006 D works flawlessly withjranke1-20/+2
default starting parameters - Took out a relatively long-lasting test that did not say much git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@136 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-04Fixing parameters (initial state and differential equation parameters) nowjranke1-6/+12
also works in the experimental GUI git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@134 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-30Fits can now be saved in the project file in the experimental GUI, and ↵jranke1-15/+39
reloaded from it, together with the datasets and models. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@131 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-30Improved fit management in the experimental GUIjranke1-47/+99
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@130 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-29- Just one little formatting change in mkinfit.Rjranke1-5/+128
- Some very basic fitting now works in the experimental GUI with the new widget layout git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@128 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

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