Commit Graph

346 Commits

Author SHA1 Message Date
Dominik Demuth
a1691f11a6 remove leading space in ascii preview, because some dimwit wants to use spaces in the beginning of his files... 2023-11-07 17:07:47 +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
37a6d789bb increase precision in log-gaussian integration 2023-10-02 12:31:40 +02:00
Dominik Demuth
cde794cb0d parabola on a log-scale added 2023-09-28 17:55:25 +02:00
Dominik Demuth
2a69147ed4 remove slot reference in parameter.get_state; fixes #125 2023-09-28 15:43:55 +02:00
Dominik Demuth
902a35b71a check if Default.agr knows what a graph is; helps with #124 2023-09-27 18:06:53 +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
207ee5bffd 1/p bounds added 2023-09-27 13:55:37 +02:00
Dominik Demuth
0046d04683 improve performance building data tree 2023-09-19 17:22:59 +02:00
Dominik Demuth
9463ed1e6c improve performance for show/hide graphs 2023-09-19 17:05:06 +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
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