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 |
|
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 |
|
