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2013-11-12Add the feature section to the READMEJohannes Ranke1-1/+42
2013-11-12Squashed commit of the following:jranke1-0/+59
commit 66766071b638ef892a8f54741806c302c7b3ff94 Author: Johannes Ranke <jranke@uni-bremen.de> Date: Tue Nov 12 01:28:30 2013 +0100 Fixed link and improved text of the github README commit 64e1da1517abd57936bc8bd7410bb0c43c6b2a0a Author: Johannes Ranke <jranke@uni-bremen.de> Date: Tue Nov 12 01:20:20 2013 +0100 Some more meat to the README git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@158 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-12Fixed link and improved text of the github READMEJohannes Ranke1-15/+17
2013-11-12Some more meat to the READMEJohannes Ranke1-0/+57
2013-11-11Update with README from githubjranke1-0/+5
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@157 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11Vignettes are not built from the makefilejranke1-1/+1
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@156 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11Change quotes to single as backquotes execute automaticallyjranke1-3/+3
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@155 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11Fix quotes in makefilejranke1-3/+3
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@154 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11Test a git commit while svn not up to datejranke1-0/+1
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@153 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11Remove vignette PDFs to have them rebuilt on every buildjranke2-0/+0
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@152 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11Adapt the makefile to presumed git workflowjranke1-2/+4
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@151 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-11- Add a simple makefilejranke4-9/+63
- 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
2013-11-06Another version bump as 0.9.24 is on CRAN nowjranke1-1/+1
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@142 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-06Version bump as I have just release 0.9.23 to CRANjranke1-1/+1
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@141 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-06Update of the vignettesjranke5-6/+8
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@140 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-06- New candidate for release containing the latest changes to the GUIjranke7-726/+102
- 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
2013-11-05- Update of changelog and description file for release to CRANjranke2-3/+7
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@138 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-05- Use an increasing small numeric value instead of random numbers for ↵jranke1-1/+5
generating different default values for kinetic rate constants to increase transparency and reproducibility. This also works nicely. - Remove an outdated comment from the test script. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@137 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
2013-11-04Add small random numbers to default initial values for rate constants to avoidjranke1-2/+2
numerical artefacts occurring in eigenvalue based solutions. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@135 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
2013-11-04Complete the fix for fixing initial values for state variablesjranke2-1/+9
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@133 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-11-04Bugfix for a recently introduced breakage of fixed_initialsjranke3-2/+9
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@132 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
2013-10-30- Backtransform fixed ODE parameters for the summary (compare ChangeLog)jranke3-17/+8
- Reformatted ChangeLog - Version bump as mkin 0.9-22 is on CRAN git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@129 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-29- Just one little formatting change in mkinfit.Rjranke2-6/+130
- 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
2013-10-28Make the left pane in the new experimental GUI layout smaller and the study ↵jranke1-12/+9
data simpler as editing study details is not the purpose of the GUI git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@127 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-26Some improvements in ChangeLog formattingjranke1-4/+4
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@126 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-25A new layout for the GUI and an update of the staticdocs, as I just jranke1-0/+445
uploaded 0.9-22 for publication on CRAN git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@125 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-22Commented out some of the mkinfit examples using \dontrun{} markup as they ↵jranke1-1/+3
run a bit long git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@124 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-21Some more progress towards the gcombobox selection of modelsjranke1-32/+50
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@122 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-21- Half way through replacing gnotebooks for the fitsjranke1-57/+32
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@121 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-21- Simplified implementation of mkinerrmin (see ChangeLog)jranke3-9/+20
- Improve ChangeLog and add comment to source code - Simple test of the new mkinerrmin implementation in test.R - Added some summaries for documenting the changes in mkinerrmin git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@120 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-19Fix the example of transform_odeparms help that was broken by making the columnjranke1-1/+1
names of the data frames "start" and "transformed" in the mkinfit objects consistent. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@119 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-17- Fix reweighting for the case of many metabolitesjranke2-3/+4
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@118 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-17- See ChangeLog entry for today (2 small bugfixes and lots of GUI progress)jranke5-32/+120
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@117 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-16- One possibility to handle the parameters each with several named widgets, ↵jranke1-19/+22
a bit clumsy git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@116 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-16- More consistent output regarding optimised and fixed parameters (see ↵jranke4-53/+112
ChangeLog) - Switch from gcanvas to gsvg - Start setting up the fits in the GUI - add files for testing gWidgetsWWW2 functionality git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@115 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-14- set svn keyword for Id tag in simple.Rjranke1-3/+3
- set initial foldlevel for two files to 0 git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@114 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-14- Added the header to the GUI filejranke1-44/+76
- Code reformatting and some reorganisation git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@113 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-11Some more plotting experimentsjranke1-4/+27
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@112 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-11Added a button...jranke1-20/+32
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@111 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-11Some additions, fixes and formatting of the help files for mkinfit and ↵jranke2-65/+78
mkinpredict. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@110 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-10- IRLS is implementedjranke6-26/+120
git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@109 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
2013-10-10- Added a ChangeLogjranke4-16/+66
- Do not use time zero values of 0 for chi2 error level calculations (see changelog) - Show weighting method in summary - Correct the output of the data in the case of manual weights - Some reformatting in mkinfit.R - GUI: First attempt at representing a fit in the GUI git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@108 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

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