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v1.0.0

94fc92fb56 workflow fixes Markus Rosenstihl 2023-12-06 14:16:48 +0100
7e3541806b preliminary build workflow Markus Rosenstihl 2023-12-06 14:13:57 +0100
bd9051be00 vars testing Markus Rosenstihl 2023-12-06 12:24:46 +0100
d5293cf534 test ENV variables Markus Rosenstihl 2023-12-06 12:12:23 +0100
d4812a25ea changed label to 'bullseye' Markus Rosenstihl 2023-12-06 12:01:24 +0100
a37704acc4 moved demo.yaml workflow to correct directory Markus Rosenstihl 2023-12-06 11:42:27 +0100
787d2f4c0f action runner demo added Markus Rosenstihl 2023-12-06 11:41:37 +0100
a9d284eabe rethink choices of 0c7ca0b9ba; minimum selection at least should work, cf. #166 Dominik Demuth 2023-12-04 19:38:29 +0100
20592e05c6 undo stuff I introduced in aa0d14a322; should fix #165, reopens #151 Dominik Demuth 2023-12-01 20:19:09 +0100
728eb34ca7 ignore sets without start parameter in fit prep Dominik Demuth 2023-12-01 17:58:48 +0100
843866be45 Fit: Ignore complex_state, if no complex function is selected; closes #144 Dominik Demuth 2023-11-30 19:21:21 +0100
aa0d14a322 Make FitResults from all fixed parameters; closes #151 Dominik Demuth 2023-11-30 18:16:07 +0100
12726e6f56 set order is now respected for fits; fixes #161 Dominik Demuth 2023-11-30 17:47:53 +0100
d146f4fe7e Merge remote-tracking branch 'origin/master' Dominik Demuth 2023-11-29 19:35:31 +0100
edf69b6424 check if start parameter of fits are given; closes #157 Dominik Demuth 2023-11-29 19:24:57 +0100
e662dcf03c add warning for non-working interpolations; fixes #159 Dominik Demuth 2023-11-29 19:16:58 +0100
bb5c6a5491 check each tab if connected figure exists; maybe closes #150 Dominik Demuth 2023-11-29 18:13:20 +0100
386bc5a371 undo of sets were missing from graph delete undo Dominik Demuth 2023-11-29 18:03:54 +0100
0c7ca0b9ba set options to make paintEvents faster; does not much for RAM usage (closes #104) Dominik Demuth 2023-11-29 18:01:40 +0100
7c71061877 deal with missing weight key get_state and set_state; partly fixes #158 Dominik Demuth 2023-11-29 08:11:14 +0000
8a6c909c3e button to reset view limits of fit results; closes #156 Dominik Demuth 2023-11-28 19:31:05 +0100
340d5d1038 fit results are auto-scaled if data was not fit before; related to #156 Dominik Demuth 2023-11-28 18:31:19 +0100
c04052294c add issue templates Dominik Demuth 2023-11-28 18:28:29 +0100
e063abc712 fix grace export bugs; closes #155 Dominik Demuth 2023-11-23 19:43:50 +0100
412708cecd set cursor position manually in fit data parameter; closes #153 Dominik Demuth 2023-11-23 18:40:56 +0100
c7a21c72f2 graph keys were not deleted in tabs because of tab switching; closes #150 Dominik Demuth 2023-11-22 18:30:17 +0100
929bb80f2f edit spectra should now work better; closes #152 Dominik Demuth 2023-11-22 17:48:08 +0100
dfe9eab817 fix 3.9/3.10 problem with traceback of last commit Dominik Demuth 2023-11-20 19:43:35 +0100
d18b3ee671 catch all exceptions during import of usermodels.py; closes #149 Dominik Demuth 2023-11-20 18:14:34 +0100
64b270d7c1 remove enableAutoRange call to stop unwanted rescales; closes #143 Dominik Demuth 2023-11-15 20:16:17 +0100
9baf1e44d3 now with proper package building packaging Dominik Demuth 2023-11-15 18:20:32 +0100
8fb17b22fd fit results save weight; closes #139 Dominik Demuth 2023-11-13 18:46:46 +0100
f04cadf780 remember header settings in ascii dialog; fixes #140 Dominik Demuth 2023-11-13 18:03:57 +0100
ae45ff2e55 set name of fit results manually; fix #138 Dominik Demuth 2023-11-13 17:17:50 +0100
735896e68d background color of legend is not changed; fixes #141 Dominik Demuth 2023-11-13 17:11:38 +0100
aff9cd31a7 add "index" keyword to ascii reader to use row number; part of #135 Dominik Demuth 2023-11-10 18:56:13 +0100
8772fa9e7a add __future__ import to fix #136 Dominik Demuth 2023-11-10 10:17:42 +0000
9c5d91918f added f-omega option to log-fourier transform; closes #134 Dominik Demuth 2023-11-09 17:50:29 +0100
dbb35cdba4 added f-omega option to bds fit functions; closes #133 Dominik Demuth 2023-11-09 17:26:57 +0100
070509c691 do not overwrite old backup until new backup is done Dominik Demuth 2023-11-09 17:05:17 +0100
5ea1ed6d0a change level of appimage version logger Dominik Demuth 2023-11-07 17:50:32 +0100
a1691f11a6 remove leading space in ascii preview, because some dimwit wants to use spaces in the beginning of his files... Dominik Demuth 2023-11-07 17:07:47 +0100
f956c111c2 regex for numeric value for data from text files; closes #127 Dominik Demuth 2023-11-05 17:11:28 +0100
cb2bc78a2a work on edit signals Dominik Demuth 2023-11-05 15:22:28 +0100
9e9751cd9d add log to edit signal Dominik Demuth 2023-11-05 15:20:40 +0100
5a8ef8c9c7 change wording for delete previous fit in fitresult Dominik Demuth 2023-11-05 15:17:59 +0100
45f5eb9bef Update src/gui_qt/data/container.py Dominik Demuth 2023-11-02 13:05:18 +0000
5116622e42 fixed fit parameter ignore boundary problems; fixes #128 Dominik Demuth 2023-11-01 18:33:52 +0100
661ab81d7e fix edit dialog for spectra Dominik Demuth 2023-10-31 19:12:02 +0100
185dd160f1 fix import of agr with missing legends Dominik Demuth 2023-10-30 19:34:18 +0100
7fe564a61e more interactive edit Dominik Demuth 2023-10-25 20:04:49 +0200
6339bdc2cc escape backslashes in fit function equation Dominik Demuth 2023-10-17 18:16:31 +0200
37a6d789bb increase precision in log-gaussian integration Dominik Demuth 2023-10-02 12:31:40 +0200
cde794cb0d parabola on a log-scale added Dominik Demuth 2023-09-28 17:55:25 +0200
2a69147ed4 remove slot reference in parameter.get_state; fixes #125 Dominik Demuth 2023-09-28 15:43:55 +0200
902a35b71a check if Default.agr knows what a graph is; helps with #124 Dominik Demuth 2023-09-27 18:06:53 +0200
6f76349932 Merge branch 'fit_bounds' Dominik Demuth 2023-09-27 15:39:23 +0200
f9bb466cb3 fix data look-up for multiple fit models Dominik Demuth 2023-09-27 15:38:55 +0200
a97c31325f 1/p bounds in ui Dominik Demuth 2023-09-27 15:32:19 +0200
207ee5bffd 1/p bounds added Dominik Demuth 2023-09-27 13:55:37 +0200
0046d04683 improve performance building data tree Dominik Demuth 2023-09-19 17:22:59 +0200
9463ed1e6c improve performance for show/hide graphs Dominik Demuth 2023-09-19 17:05:06 +0200
ea62a05bd3 improve performance for show/hide graphs Dominik Demuth 2023-09-19 16:32:54 +0200
c5706084bf fixing merge problems Dominik Demuth 2023-09-19 12:48:12 +0200
04037d6b4d Merge branch 'fit_constraints' Dominik Demuth 2023-09-19 12:39:32 +0200
dedb130163 make final fit parameter values Dominik Demuth 2023-09-19 12:35:24 +0200
6ecc4a4126 make final fit parameter values Dominik Demuth 2023-09-19 12:34:44 +0200
067857eda2 minor fixes Dominik Demuth 2023-09-19 12:22:33 +0200
41d90bb15f minor fixes Dominik Demuth 2023-09-19 11:33:52 +0200
8d994bb9b4 fixed preview Dominik Demuth 2023-09-18 17:39:31 +0200
2cbc7e8d75 more detailed error message in fit preparation Dominik Demuth 2023-09-18 16:08:42 +0200
1d22f22901 Parameter in preview Dominik Demuth 2023-09-18 15:30:06 +0200
bd1a227e4c use Parameter when collecting fit values Dominik Demuth 2023-09-18 13:52:10 +0200
03d172bade use Parameter when collecting fit values Dominik Demuth 2023-09-18 11:43:28 +0200
e51a02d277 improvement of t1 calc Dominik Demuth 2023-09-16 17:42:59 +0200
3af5cb0301 add todos Dominik Demuth 2023-09-16 14:16:45 +0200
22f317da8d remove wonky path variable from graph export to use last directory instead; closes #121 Dominik Demuth 2023-09-13 17:25:53 +0200
24b56cbd2a calc_relaxation: create copy of x to avoid unintended overwrite Dominik Demuth 2023-09-13 17:16:57 +0200
5fd52a1a44 Update src/nmreval/distributions/loggaussian.py Dominik Demuth 2023-09-12 07:07:36 +0000
d8e5de6b7a T1+T2 calculation now always iterates over all args that can be from data Dominik Demuth 2023-09-11 19:50:58 +0200
869901596b Merge branch 'main' into fit_constraints Dominik Demuth 2023-09-11 18:18:30 +0200
e4dbaf2b91 work on ui Dominik Demuth 2023-09-11 18:09:08 +0200
dee1271fe1 add action to context menu to replace single set fit parameter with general fit parameter Dominik Demuth 2023-09-08 18:59:14 +0200
b8bab2af7b fixed LG+CC spectral density calculation for omega=0; closes #118 Dominik Demuth 2023-09-08 17:54:27 +0200
a406908a69 catch errors in fit preparation Dominik Demuth 2023-09-07 19:52:53 +0200
5e55f06723 add completer to general fit linedit Dominik Demuth 2023-09-07 19:30:10 +0200
e2e52cebde fixed overwrite of weight option for deltay, resulted in invalid weights; closes #117 Dominik Demuth 2023-09-07 17:48:49 +0200
53c58b2bbb disable validators Dominik Demuth 2023-09-06 17:45:57 +0200
4e865cd0c6 Update src/gui_qt/nmr/t1_from_tau.py Dominik Demuth 2023-09-06 10:20:22 +0000
311157a01a fix parameter setting after fitting multiple models Dominik Demuth 2023-09-03 20:17:07 +0200
f0ee2073ad fixed wrong order for nested fit functions; swapped exchange rates in Peschier model Dominik Demuth 2023-08-31 19:34:13 +0200
d2e63a5ee3 refactor odr Dominik Demuth 2023-08-29 19:44:09 +0200
5a153585ee write error for global fits Dominik Demuth 2023-08-29 19:11:56 +0200
d17d0f251e work on linked models Dominik Demuth 2023-08-26 20:08:13 +0200
0b8f4932b2 seems mostly to be working Dominik Demuth 2023-08-25 18:46:36 +0200
5d43ccb05d fit with global parameter Dominik Demuth 2023-08-24 16:19:09 +0200
88a32ea7fd multiple single fits working Dominik Demuth 2023-08-15 18:44:08 +0200
7febe55929 order of fits correspond order in graph, fit result window has correct order, see #109 Dominik Demuth 2023-08-07 18:42:10 +0200
783fe505ba better check for valid class and argument names in fit function creation Dominik Demuth 2023-08-06 16:41:22 +0200
2fed4bb0bf fit creation dialog uses option name for kwargs Dominik Demuth 2023-08-05 17:53:24 +0200