Commit Graph

474 Commits

Author SHA1 Message Date
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
dedb130163 make final fit parameter values 2023-09-19 12:35:24 +02:00
Dominik Demuth
6ecc4a4126 make final fit parameter values 2023-09-19 12:34:44 +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
3af5cb0301 add todos 2023-09-16 14:16:45 +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
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
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
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