Commit Graph

454 Commits

Author SHA1 Message Date
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
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
f0ee2073ad fixed wrong order for nested fit functions; swapped exchange rates in Peschier model 2023-08-31 19:34:13 +02:00
Dominik Demuth
d2e63a5ee3 refactor odr 2023-08-29 19:44:09 +02:00
Dominik Demuth
5a153585ee write error for global fits 2023-08-29 19:11:56 +02:00
Dominik Demuth
d17d0f251e work on linked models 2023-08-26 20:08:13 +02:00
Dominik Demuth
0b8f4932b2 seems mostly to be working 2023-08-25 18:46:36 +02:00
Dominik Demuth
5d43ccb05d fit with global parameter 2023-08-24 16:19:09 +02:00
Dominik Demuth
88a32ea7fd multiple single fits working 2023-08-15 18:44:08 +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
7762758958 save original expression 2023-08-04 17:58:48 +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
c601e77cec fit with expression works with single fit 2023-07-30 19:34:59 +02:00
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
ca130eaa14 eval parameter 2023-07-27 18:58:22 +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
7a50028202 add namespace to parameter 2023-07-24 20:12:55 +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