# NEWS for package 'gmkin' ## gmkin 0.6-12 (2021-02-13) - Depend on mkin (>= 1.0.2) which preserves model names stored in 'mkinmod' objects, which were overwritten starting from mkin 1.0.0 ## gmkin 0.6-11 (2021-02-12) - Adapt built-in 'FOCUS_2006' workspace to mkin 1.0.x as we have now have the 'deg_func' element in 'mkinmod' objects - The three HOWTO tests in the manual pass ## gmkin 0.6-10 (2019-07-09) - Adapt to mkin 0.9.49.6, making the new way to fit variance by variable and the two-component error model available to gmkin - Use devEMF for better vector graphics export for Windows - Manual weighting is not possible as this functionality is currently not present in mkin versions > 0.9.48.1 ## gmkin 0.6-9 (2018-09-13) - Enable fits with the two-component error model during iterative reweighting (IRLS) ## gmkin 0.6-8 (2016-01-25) - Formal improvements mainly in the docs ## gmkin 0.6-7 (2017-03-06) ### Bug fixes - The compiled versions of the models were removed from the model gallery in order to avoid invalid pointers. ### Major changes - A howto section was added to the manual. The howtos are also useful as functionality tests. ## gmkin 0.6-6 (2016-01-08) ### Bug fixes - Activate the button "Keep changes" as soon as a dataset title is entered in the dataset editor so entered data can be kept. - Entering "x" into an input field triggered saving the file due to a peculiarity of the GAction implementation in gWidgetsWWW2. The keybinding was changed to "Shift-F12" (see below). - When data was entered manually, sometimes it could not be fitted as the override column was of type "character" instead of "numeric". ### Major changes - Changed the keybinding for saving the current workspace to "Shift-F12" ### Minor changes - The project file is now immediately shown with its full path in the project editor window after saving a file. - Do not show widgets for fit options in 'Configuration' tab when not fit is configured. Also inactivate the run button and show a message telling the user what to do to configure a fit. ## gmkin 0.6-5 (2015-12-11) ### Bug fixes - When configuring a fit using a model with use_of_ff = 'max', this was ignored when the model was loaded from a project file - The configure button was not disabled when switching a project (which clears model and dataset selections) ## gmkin 0.6-4 (2015-12-09) - Various small corrections of unexpected or incorrect GUI behaviour. See git commit logs for details. ### Bug fixes - Unchecking the pathway to sink in the model editor was ignored. ## gmkin 0.6-3 (2015-11-28) - Various small layout and GUI logic improvements based on the suggestions by Stefan Meinecke (Umweltbundesamt Germany). Thanks, also for the financial support from the Umweltbundesamt! ### Minor changes - Removed the 'Add' and 'Remove' buttons from the data editor, as adding rows leads to a corrupt state of the GUI - The button 'Keep changes' now asks if the currently selected model should be overwritten if the name was not changed ### Bug fixes - In the model editor, the combobox for the 'to' field did not accept to be empty after holding a selection - Some graphical errors in the model gallery were fixed - Importing data in wide format corrupted the array of observed variables as `mkin_wide_to_long` returns 'name' as a factor ## gmkin 0.6-2 (2015-11-10) - Make it possible to export model predictions as CSV - Bugfix on windows: Start a windows graphics device for plotting during the fit if none is active to avoid an error - Only tell the user that the fit can be aborted in the R console when gmkin is running in an interactive R session ## gmkin 0.6-1 (2015-11-10) - Completely rewritten user interface with a three column layout - Introduce project management with the possibility to move datasets and models - Tabbed viewing area on the right, with workflow graph, data editor, the manual and changes in gmkin (this file) - Introduction of a workspace object as an R6 class 'gmkinws' - Simplify model specification by using a combobox with multiple selection for specifiying target variables (metabolites, target compartments) - Introduce a model gallery (loaded when the tab is selected the first time, as it loads slowly) ## gmkin 0.5-10 (2015-05-08) ### Minor changes - Updates to DESCRIPTION and README.md - man/gmkin.Rd: Do not mark gmkin as being experimental any more ## gmkin 0.5-8 (2014-11-25) ### Minor changes - Adapt fit configuration to the fact that the default optimisation algorithm in mkin has been changed to `Port` ## gmkin 0.5-7 ### New features - Installation is further simplified, as both gmkin and gWidgetsWWW2 are now available from R-Forge. ## gmkin 0.5-6 ### New features - The plot of the current fit and the residuals can be saved as pdf or png file, on windows also as a windows metafile (wmf) ## gmkin 0.5-5 ### Bug fixes - Prevent loading old gmkin workspace files created with mkin < 0.9-32 as they do not load properly - Fix saving summary files. They were all saved under the same name without a warning ## gmkin 0.5-4 ### Bug fixes - A heading in the manual was fixed ## gmkin 0.5-3 ### New features - First version installable from the package repository on r-forge - New vignette gmkin_manual - Small improvements in the model editor ## gmkin 0.5-2 ### New features - Make `Port` and `SANN` optimisation algorithms from FME available to gmkin, in addition to the default algorithm `Marq` - Make it possible to specify the maximum number of iterations for these algorithms - Provide the possibility to save summaries as text file - Option to show the fitting process in a separate plot device, default is not to - Add an inital message explaining the use of the target input box of the model editor ### Bug fixes - Sorting in the fit table now works correctly also for more than 9 fits - The fit table was not always updated (e.g. after deleting a fit) due to a bug introduced while fixing the bug above ### Minor changes - The statusbar message was improved - This NEWS file was added, in markdown format for viewing on github ## gmkin 0.5-1 - This is the gmkin version presented at SETAC in Basel in May 2014