Commit Graph

273 Commits

Author SHA1 Message Date
Dominik Demuth
edf69b6424 check if start parameter of fits are given; closes #157 2023-11-29 19:24:57 +01:00
Dominik Demuth
e662dcf03c add warning for non-working interpolations; fixes #159 2023-11-29 19:16:58 +01:00
Dominik Demuth
bb5c6a5491 check each tab if connected figure exists; maybe closes #150 2023-11-29 18:14:04 +01:00
Dominik Demuth
386bc5a371 undo of sets were missing from graph delete undo 2023-11-29 18:14:04 +01:00
Dominik Demuth
0c7ca0b9ba set options to make paintEvents faster; does not much for RAM usage (closes #104) 2023-11-29 18:14:03 +01:00
Dominik Demuth
8a6c909c3e button to reset view limits of fit results; closes #156 2023-11-28 19:31:05 +01:00
Dominik Demuth
340d5d1038 fit results are auto-scaled if data was not fit before; related to #156 2023-11-28 18:31:19 +01:00
Dominik Demuth
e063abc712 fix grace export bugs; closes #155 2023-11-23 19:43:50 +01:00
Dominik Demuth
412708cecd set cursor position manually in fit data parameter; closes #153 2023-11-23 18:40:56 +01:00
Dominik Demuth
c7a21c72f2 graph keys were not deleted in tabs because of tab switching; closes #150 2023-11-22 18:30:17 +01:00
Dominik Demuth
929bb80f2f edit spectra should now work better; closes #152 2023-11-22 17:48:08 +01:00
Dominik Demuth
dfe9eab817 fix 3.9/3.10 problem with traceback of last commit 2023-11-20 19:43:35 +01:00
Dominik Demuth
d18b3ee671 catch all exceptions during import of usermodels.py; closes #149 2023-11-20 19:06:02 +01:00
Dominik Demuth
64b270d7c1 remove enableAutoRange call to stop unwanted rescales; closes #143 2023-11-15 20:16:17 +01:00
Dominik Demuth
f04cadf780 remember header settings in ascii dialog; fixes #140 2023-11-13 18:03:57 +01:00
Dominik Demuth
735896e68d background color of legend is not changed; fixes #141 2023-11-13 17:11:38 +01:00
Dominik Demuth
aff9cd31a7 add "index" keyword to ascii reader to use row number; part of #135 2023-11-10 18:56:13 +01:00
Dominik Demuth
9c5d91918f added f-omega option to log-fourier transform; closes #134 2023-11-09 17:50:29 +01:00
Dominik Demuth
070509c691 do not overwrite old backup until new backup is done 2023-11-09 17:05:17 +01:00
Dominik Demuth
5ea1ed6d0a change level of appimage version logger 2023-11-07 17:50:32 +01:00
Dominik Demuth
f956c111c2 regex for numeric value for data from text files; closes #127 2023-11-05 17:23:51 +01:00
Dominik Demuth
cb2bc78a2a work on edit signals 2023-11-05 15:25:31 +01:00
Dominik Demuth
9e9751cd9d add log to edit signal 2023-11-05 15:21:19 +01:00
Dominik Demuth
5a8ef8c9c7 change wording for delete previous fit in fitresult 2023-11-05 15:17:59 +01:00
45f5eb9bef Update src/gui_qt/data/container.py
phase correction should be done when users wants it; closes #129
2023-11-02 13:05:18 +00:00
Dominik Demuth
5116622e42 fixed fit parameter ignore boundary problems; fixes #128 2023-11-01 18:33:52 +01:00
Dominik Demuth
661ab81d7e fix edit dialog for spectra 2023-10-31 19:12:02 +01:00
Dominik Demuth
185dd160f1 fix import of agr with missing legends 2023-10-30 19:34:18 +01:00
Dominik Demuth
7fe564a61e more interactive edit 2023-10-25 20:04:49 +02:00
Dominik Demuth
6339bdc2cc escape backslashes in fit function equation 2023-10-17 18:16:31 +02:00
Dominik Demuth
6f76349932 Merge branch 'fit_bounds' 2023-09-27 15:39:23 +02:00
Dominik Demuth
f9bb466cb3 fix data look-up for multiple fit models 2023-09-27 15:38:55 +02:00
Dominik Demuth
a97c31325f 1/p bounds in ui 2023-09-27 15:32:19 +02:00
Dominik Demuth
0046d04683 improve performance building data tree 2023-09-19 17:22:59 +02:00
Dominik Demuth
ea62a05bd3 improve performance for show/hide graphs 2023-09-19 16:32:54 +02:00
Dominik Demuth
c5706084bf fixing merge problems 2023-09-19 12:48:12 +02:00
Dominik Demuth
04037d6b4d Merge branch 'fit_constraints'
# Conflicts:
#	src/gui_qt/main/management.py
2023-09-19 12:39:32 +02:00
Dominik Demuth
067857eda2 minor fixes 2023-09-19 12:22:33 +02:00
Dominik Demuth
41d90bb15f minor fixes 2023-09-19 11:33:52 +02:00
Dominik Demuth
8d994bb9b4 fixed preview 2023-09-18 17:39:31 +02:00
Dominik Demuth
2cbc7e8d75 more detailed error message in fit preparation 2023-09-18 16:08:42 +02:00
Dominik Demuth
1d22f22901 Parameter in preview 2023-09-18 15:30:06 +02:00
Dominik Demuth
bd1a227e4c use Parameter when collecting fit values 2023-09-18 13:52:10 +02:00
Dominik Demuth
03d172bade use Parameter when collecting fit values 2023-09-18 11:43:28 +02:00
Dominik Demuth
e51a02d277 improvement of t1 calc 2023-09-16 17:42:59 +02:00
Dominik Demuth
22f317da8d remove wonky path variable from graph export to use last directory instead; closes #121 2023-09-13 17:25:53 +02:00
Dominik Demuth
24b56cbd2a calc_relaxation: create copy of x to avoid unintended overwrite 2023-09-13 17:16:57 +02:00
Dominik Demuth
d8e5de6b7a T1+T2 calculation now always iterates over all args that can be from data 2023-09-11 19:50:58 +02:00
Dominik Demuth
869901596b Merge branch 'main' into fit_constraints
# Conflicts:
#	src/gui_qt/fit/fit_forms.py
#	src/gui_qt/main/management.py
#	src/nmreval/fit/minimizer.py
2023-09-11 18:18:30 +02:00
Dominik Demuth
e4dbaf2b91 work on ui 2023-09-11 18:09:08 +02:00
Dominik Demuth
dee1271fe1 add action to context menu to replace single set fit parameter with general fit parameter 2023-09-08 18:59:14 +02:00
Dominik Demuth
a406908a69 catch errors in fit preparation 2023-09-07 19:52:53 +02:00
Dominik Demuth
5e55f06723 add completer to general fit linedit 2023-09-07 19:30:10 +02:00
Dominik Demuth
e2e52cebde fixed overwrite of weight option for deltay, resulted in invalid weights; closes #117 2023-09-07 17:48:49 +02:00
Dominik Demuth
53c58b2bbb disable validators 2023-09-06 17:45:57 +02:00
4e865cd0c6 Update src/gui_qt/nmr/t1_from_tau.py
Add Log-Gaussian to T1 calculation; closes #116
2023-09-06 10:20:22 +00:00
Dominik Demuth
311157a01a fix parameter setting after fitting multiple models 2023-09-03 20:17:07 +02:00
Dominik Demuth
0b8f4932b2 seems mostly to be working 2023-08-25 18:46:36 +02:00
Dominik Demuth
7febe55929 order of fits correspond order in graph, fit result window has correct order, see #109 2023-08-07 18:42:10 +02:00
Dominik Demuth
783fe505ba better check for valid class and argument names in fit function creation 2023-08-06 16:41:22 +02:00
Dominik Demuth
2fed4bb0bf fit creation dialog uses option name for kwargs 2023-08-05 17:53:24 +02:00
Dominik Demuth
ec8fafcc9c correct type for linenumbers in codeeditor 2023-08-05 15:31:17 +02:00
Dominik Demuth
e612c607e2 Merge remote-tracking branch 'origin/master' 2023-08-01 19:59:16 +02:00
Dominik Demuth
b27d9b55ff subclass every PlotWidget because logtickvalues 2023-08-01 19:47:55 +02:00
Dominik Demuth
3475650899 signal b/w change in graph was not connected 2023-08-01 18:06:33 +02:00
Dominik Demuth
0eca306ebe assert that log scale is finite 2023-08-01 18:00:23 +02:00
d7eaff5f0b functioning apply button for tau calculation, part of #109 2023-08-01 06:54:35 +00:00
Dominik Demuth
a5216b1eed constrain legend rect to be fully inside viewbox; simplest solution to fix #113 2023-07-31 20:17:31 +02:00
cf1565f7d3 use symbol for length 1 data in shift/scale; fixes #112 2023-07-31 11:48:57 +00:00
Dominik Demuth
63f4f82228 remove spurious print 2023-07-30 18:10:14 +02:00
Dominik Demuth
bae7ee2db6 list of active sets uses actual order instead order they were displayed; closes #111 2023-07-30 16:18:18 +02:00
Dominik Demuth
dde7b7006d overwrite logTickValues of AaxisItem to avoid to many minor ticks; maybe closes #110 2023-07-29 21:25:22 +02:00
Dominik Demuth
141e9f810a convert removes agr controls 2023-07-29 21:22:12 +02:00
Dominik Demuth
b6136bc8ce subclass QTableWidget for change multiple checkstates 2023-07-29 21:22:12 +02:00
Dominik Demuth
7762e299e4 manually setting graph limits when log-scaling to reduce memory usages; 2023-07-29 21:22:10 +02:00
Dominik Demuth
402994e09b remove parameter limit; closes #106 2023-07-25 17:23:25 +02:00
Dominik Demuth
becc1a15a9 move shift/scale to container; closes #102 2023-07-24 17:38:55 +02:00
Dominik Demuth
1ff462c4b1 remove duplicate call of t1 calculate and t1 interpolation 2023-07-21 19:53:08 +02:00
0cf5d7eef9 remove log(y) weight option from fit
close #101
2023-07-20 07:27:33 +00:00
Dominik Demuth
3149a3f958 setRegion of RegionItem with option to account for log mode 2023-07-17 19:19:38 +02:00
Dominik Demuth
3321d85203 set integration limits via keyboard; closes #50 2023-07-13 19:51:19 +02:00
Dominik Demuth
76cd4acfb0 add flag for partial fits; closes #83 2023-07-12 20:48:28 +02:00
Dominik Demuth
33afc2ca94 active graph is unchanged after pick position is applied; closes #89 2023-07-12 19:05:17 +02:00
Dominik Demuth
ac039c1b6d higher zValues for borders of RegionItem to move overlapping RegionItems 2023-07-12 18:31:29 +02:00
Dominik Demuth
ef21d7c7f2 use time for interpolation pf empty dsc reference to avoid infs 2023-07-11 20:31:21 +02:00
Dominik Demuth
fbf4246c7e bugfix eval expression; closes #83 2023-07-09 19:45:26 +02:00
Dominik Demuth
91afe8224f numerical values of data as tooltip; closes #90 2023-07-08 19:55:20 +02:00
Dominik Demuth
ead9751541 tg dialog clean-up 2023-07-06 20:05:10 +02:00
Dominik Demuth
1d9b641f0a closing Tg dialog is no longer export 2023-07-05 20:06:56 +02:00
Dominik Demuth
46ca50845b Merge branch 'dsc'
# Conflicts:
#	src/gui_qt/_py/basewindow.py
#	src/gui_qt/_py/tnmh_dialog.py
#	src/gui_qt/dsc/glass_dialog.py
#	src/gui_qt/main/mainwindow.py
#	src/gui_qt/main/management.py
#	src/gui_qt/math/binning.py
#	src/nmreval/data/dsc.py
#	src/nmreval/dsc/hodge.py
#	src/resources/_ui/basewindow.ui
#	src/resources/_ui/tnmh_dialog.ui
2023-07-05 20:02:52 +02:00
Dominik Demuth
a310a78fb9 added tnmh; some bugfixes 2023-07-05 19:51:06 +02:00
Dominik Demuth
9756bf958b close #86; 2023-07-05 18:11:58 +02:00
Dominik Demuth
8de4a0cbd3 interim save 2023-07-05 17:35:31 +02:00
Dominik Demuth
bc946e1027 interim save 2023-07-03 18:21:55 +02:00
Dominik Demuth
1d9bf600ba add hodge fit 2023-06-27 18:23:41 +02:00
Dominik Demuth
4a04502012 correct URL for issues 2023-06-27 17:26:44 +02:00
Dominik Demuth
6bcf42d6a8 check even window length in tg calc; part of #91 2023-06-26 20:34:52 +02:00
Dominik Demuth
8a96e0472d stuff 2023-06-26 19:57:23 +02:00
Dominik Demuth
3ee95a1990 correct description in binning dialog 2023-06-20 19:22:00 +02:00
a26595695c Binning and Tg (#85)
add binning; determine Tg of DSC;

closes #60; part of #61

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #85
2023-06-20 17:13:13 +00:00