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Commit Graph

296 Commits

Author SHA1 Message Date
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
5fd52a1a44 Update src/nmreval/distributions/loggaussian.py
fix typo; closes #119
2023-09-12 07:07:36 +00:00
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
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
b8bab2af7b fixed LG+CC spectral density calculation for omega=0; closes #118 2023-09-08 18:10:19 +02:00
Dominik Demuth
a406908a69 catch errors in fit preparation 2023-09-07 19:52:53 +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
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
f0ee2073ad fixed wrong order for nested fit functions; swapped exchange rates in Peschier model 2023-08-31 19:34:13 +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
258922772e change debian source 2023-08-02 19:58:02 +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
2b2c6e932d set lower bound of FC and BDS KWW to 0.1 2023-07-25 17:31:42 +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
13e6112c99 overwrite error in interpolation; avoid mismatch in length
part of #103
2023-07-24 11:08:42 +00:00
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
609f135855 correcter preview for text files with mixed delimiters 2023-07-19 19:09:42 +02:00
Dominik Demuth
5db6a9f2c5 add HN model with independent slopes 2023-07-19 18:36:13 +02:00
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
3ed7368bb0 fix even savgol window length manuallz 2023-07-11 18:06:17 +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