UNIFIT issueshttps://iffgit.fz-juelich.de/zorn/unifit/-/issues2021-02-10T20:26:52Zhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/26Rewrite plot functionality2021-02-10T20:26:52ZReiner ZornRewrite plot functionalityThe way to plot from the FORTRAN code through an input file routed to gnuplot is cumbersome and it is difficult to make changes without breaking anything. This functionality should be handled differently, maybe in the python part using m...The way to plot from the FORTRAN code through an input file routed to gnuplot is cumbersome and it is difficult to make changes without breaking anything. This functionality should be handled differently, maybe in the python part using matplotlib.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/25continue2020-11-16T10:00:07ZReiner ZorncontinuePrevent continue from replacing p (and other constant) parameters.Prevent continue from replacing p (and other constant) parameters.https://iffgit.fz-juelich.de/zorn/unifit/-/issues/24Test issue for notification2020-07-21T16:52:28ZReiner ZornTest issue for notificationhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/23Simplify scripting2021-01-26T15:40:17ZReiner ZornSimplify scriptingThe function of the shell script can be integrated into the python script `unifit_p1`. This would make the shell script unnecessary simplifying the whole structre and removing a source of errors for future extensions. This structure woul...The function of the shell script can be integrated into the python script `unifit_p1`. This would make the shell script unnecessary simplifying the whole structre and removing a source of errors for future extensions. This structure would also make the implementation of `def` easier (issue #21 ).Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/22UNIFIT crashes if starting directory contains spaces2020-06-25T12:22:34ZReiner ZornUNIFIT crashes if starting directory contains spacesReiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/21Low-level macro definitions2021-01-26T15:40:40ZReiner ZornLow-level macro definitionsEspecially in the data section it is often necessary to repeat sequences of commands near-identically, e.g.
file PEMA_400_60.sqt
set Temp 400
set Q 0.6
group Qs t400 0.8 1
file PEMA_420_60.sqt
set Temp 420
s...Especially in the data section it is often necessary to repeat sequences of commands near-identically, e.g.
file PEMA_400_60.sqt
set Temp 400
set Q 0.6
group Qs t400 0.8 1
file PEMA_420_60.sqt
set Temp 420
set Q 0.6
group Qs t420 0.8 1
file PEMA_440_60.sqt
set Temp 440
set Q 0.6
group Qs t440 0.8 1
file PEMA_440_20.sqt
set Temp 440
set Q 0.2
group Qs t440 0.8 1
...
It would be nice if one could first define a macro, like
def pfile $1 $2
file PEMA_$1_$2.sqt
set Temp $1
set Q 0.$2
group Qs t$1 0.8 1
end
and then just use the user-defined command:
pfile 400 60
pfile 420 60
pfile 440 60
pfile 440 20
...Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/20Create 'define' command to simplify repetitive command groups2020-07-08T13:06:00ZReiner ZornCreate 'define' command to simplify repetitive command groupsThis probably requires the unrolled command file to be written out. => change of ksh script.This probably requires the unrolled command file to be written out. => change of ksh script.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/19Increase number of digits in unifit_res.txt2021-01-26T16:04:54ZReiner ZornIncrease number of digits in unifit_res.txthttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/18Missing history entries2020-06-09T09:19:14ZReiner ZornMissing history entriesIf unifit is run without plotting the exit code >0 prevents the fit being added to the history.If unifit is run without plotting the exit code >0 prevents the fit being added to the history.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/17Plot unfitted data points2021-02-10T20:23:48ZReiner ZornPlot unfitted data points...maybe in a different color, size......maybe in a different color, size...Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/16Change unifit to bash2020-05-19T11:42:34ZReiner ZornChange unifit to bash* [ ] shebang
* [ ] documentation* [ ] shebang
* [ ] documentationhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/15Convolution method has to be file depedent!2020-05-19T11:42:01ZReiner ZornConvolution method has to be file depedent!Otherwise it is not possible to combine convolution and non-convolution fits. This requires `iconv`to be changed into an array of the file number and all its consequences.Otherwise it is not possible to combine convolution and non-convolution fits. This requires `iconv`to be changed into an array of the file number and all its consequences.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/14Create 'for' command for calculate, theory, and plot2020-05-14T16:07:23ZReiner ZornCreate 'for' command for calculate, theory, and plotPutting `for 5` in front of `calculate`, `theory`, or `plot` shall restrict the command to file 5, putting `for 1 4` to files 1..4.Putting `for 5` in front of `calculate`, `theory`, or `plot` shall restrict the command to file 5, putting `for 1 4` to files 1..4.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/13Improve rplot2020-05-14T15:21:28ZReiner ZornImprove rplot* [ ] Enable resolution plot also if fit function is not calculated (not: Function calculation not requested -> no plot.)
* [ ] Option to plot vs point number instead of x.* [ ] Enable resolution plot also if fit function is not calculated (not: Function calculation not requested -> no plot.)
* [ ] Option to plot vs point number instead of x.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/12Command 'continue' gives strange diagnostic output2020-05-14T09:22:46ZReiner ZornCommand 'continue' gives strange diagnostic outputReiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/11Option -x does not work2020-05-14T09:24:03ZReiner ZornOption -x does not work```
(base) zorn@iff1023:unifit % unifit -x continue qens_all_f.uni
Command file continue not found.
``````
(base) zorn@iff1023:unifit % unifit -x continue qens_all_f.uni
Command file continue not found.
```Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/10For 'numerical' convolution include delta functions in theory plot2020-05-14T04:05:47ZReiner ZornFor 'numerical' convolution include delta functions in theory plotReiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/9Correct scaling of theory function for nonormalize convolution2020-05-19T12:16:09ZReiner ZornCorrect scaling of theory function for nonormalize convolutionFor comparison with the data the theory function has to be multiplied by the integral of the resolution if the `nonormalization` option is used.For comparison with the data the theory function has to be multiplied by the integral of the resolution if the `nonormalization` option is used.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/8Normal MC error analysis2021-02-10T20:28:12ZReiner ZornNormal MC error analysisIn a similar way as bootstrap error calculation is implemented, the easier Monte Carlo error calculation should be implemented. There should be a choice between the data itself and its model representation as a starting point for generat...In a similar way as bootstrap error calculation is implemented, the easier Monte Carlo error calculation should be implemented. There should be a choice between the data itself and its model representation as a starting point for generating the counterfactual data.Reiner ZornReiner Zornhttps://iffgit.fz-juelich.de/zorn/unifit/-/issues/7= and + do not work for group parameters2023-09-25T11:18:40ZReiner Zorn= and + do not work for group parametersMost users will not work with enumerated groups anymore. But those who do will run into problems when using `+` to start the next group or `=` to stay with the same. Also, `=` should also work for the new standard, labelled groups.Most users will not work with enumerated groups anymore. But those who do will run into problems when using `+` to start the next group or `=` to stay with the same. Also, `=` should also work for the new standard, labelled groups.