Commit Graph

313 Commits

Author SHA1 Message Date
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
Dominik Demuth
3ed7368bb0 fix even savgol window length manuallz 2023-07-11 18:06:17 +02:00
Dominik Demuth
fbf4246c7e bugfix eval expression; closes #83 2023-07-09 19:45:26 +02:00
Dominik Demuth
91afe8224f numerical values of data as tooltip; closes #90 2023-07-08 19:55:20 +02:00
Dominik Demuth
ead9751541 tg dialog clean-up 2023-07-06 20:05:10 +02:00
Dominik Demuth
1d9b641f0a closing Tg dialog is no longer export 2023-07-05 20:06:56 +02:00
Dominik Demuth
46ca50845b Merge branch 'dsc'
# Conflicts:
#	src/gui_qt/_py/basewindow.py
#	src/gui_qt/_py/tnmh_dialog.py
#	src/gui_qt/dsc/glass_dialog.py
#	src/gui_qt/main/mainwindow.py
#	src/gui_qt/main/management.py
#	src/gui_qt/math/binning.py
#	src/nmreval/data/dsc.py
#	src/nmreval/dsc/hodge.py
#	src/resources/_ui/basewindow.ui
#	src/resources/_ui/tnmh_dialog.ui
2023-07-05 20:02:52 +02:00
Dominik Demuth
a310a78fb9 added tnmh; some bugfixes 2023-07-05 19:51:06 +02:00
Dominik Demuth
9756bf958b close #86; 2023-07-05 18:11:58 +02:00
Dominik Demuth
8de4a0cbd3 interim save 2023-07-05 17:35:31 +02:00
Dominik Demuth
bc946e1027 interim save 2023-07-03 18:21:55 +02:00
Dominik Demuth
1d9bf600ba add hodge fit 2023-06-27 18:23:41 +02:00
Dominik Demuth
4a04502012 correct URL for issues 2023-06-27 17:26:44 +02:00
Dominik Demuth
6bcf42d6a8 check even window length in tg calc; part of #91 2023-06-26 20:34:52 +02:00
Dominik Demuth
8a96e0472d stuff 2023-06-26 19:57:23 +02:00
567fcfe37e „src/nmreval/models/stimecho.py“ ändern 2023-06-26 17:22:52 +00:00
Dominik Demuth
058551cc72 closes #86 2023-06-22 17:42:07 +02:00
Dominik Demuth
3ee95a1990 correct description in binning dialog 2023-06-20 19:22:00 +02:00
Dominik Demuth
1a2f178f58 undo move of .desktop file 2023-06-20 19:21:37 +02:00
a26595695c Binning and Tg (#85)
add binning; determine Tg of DSC;

closes #60; part of #61

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #85
2023-06-20 17:13:13 +00:00
Dominik Demuth
c9ea32629d Tg export finalized 2023-06-20 19:09:31 +02:00
Dominik Demuth
032ffb72b1 Merge branch 'main' into dsc
# Conflicts:
#	src/gui_qt/main/mainwindow.py
2023-06-20 18:07:52 +02:00
Dominik Demuth
354d5cbc99 generalize binning 2023-06-19 20:03:21 +02:00
Dominik Demuth
22f8bc80ed concat mask also; closes #84 2023-06-19 18:15:25 +02:00
Dominik Demuth
84d588cf80 work on export 2023-06-19 17:50:36 +02:00
Dominik Demuth
5b146433f3 binning 2023-06-16 20:25:24 +02:00
Dominik Demuth
1a225b2cd2 multiselection and check in graph and bdsdialog; part of #82 2023-06-15 20:16:42 +02:00
Dominik Demuth
89c640e591 bugfix: remove value display item from graph before deletion 2023-06-15 20:00:52 +02:00
Dominik Demuth
1703b8d514 add binning 2023-06-15 19:57:13 +02:00
Dominik Demuth
7732544f69 start tg saving 2023-06-15 17:24:35 +02:00
Dominik Demuth
988d2ccbda minor cleanup 2023-06-13 20:28:37 +02:00
Dominik Demuth
4268bdc5ae #81 make t1 data real and catch more errors; 2023-06-13 19:08:24 +02:00
Dominik Demuth
775b5e7e8a correct tab behavior after value change (part of #79) 2023-06-13 18:31:39 +02:00
Dominik Demuth
30e148de14 Merge branch '79' 2023-06-12 20:40:28 +02:00
Dominik Demuth
2499aac7a1 check for value changes while tabbing in edit mode, avoid signal; closes #79 2023-06-12 20:40:00 +02:00
Dominik Demuth
f934104587 closes #80; evaluate expression an Datensätzen mit gehiddenen Values 2023-06-12 18:07:51 +02:00
Dominik Demuth
6e976e1404 closes #78 interpolieren, auswahl von sets 2023-06-12 17:27:43 +02:00
Dominik Demuth
92c29bec2a split tg calculation from tnmh model 2023-06-12 17:20:58 +02:00
Dominik Demuth
9f6d4e0d0c split ficitive cp and tnmh 2023-06-05 19:57:42 +02:00
Dominik Demuth
90bd33a680 check also for individual files in config directory; closes #76 2023-06-04 19:39:12 +02:00
Dominik Demuth
26fea8f69f remove temporary elements from graphs before deletion 2023-06-04 15:57:17 +02:00
Dominik Demuth
25f7ff5616 ui adjustments 2023-06-03 20:27:56 +02:00
Dominik Demuth
bec789318d initialize plot at start 2023-06-03 17:04:14 +02:00
Dominik Demuth
edc6af2762 fictive cp and tnmh model 2023-06-01 20:09:11 +02:00
Dominik Demuth
eb1e657dab more ui work 2023-05-31 19:35:03 +02:00
Dominik Demuth
79a424c4bd fix mismatched indexes between data and labels in asciireader 2023-05-31 17:21:56 +02:00
Dominik Demuth
f74dd982ba color to dsc curves in tg 2023-05-31 17:20:51 +02:00
Dominik Demuth
a5a9561b54 Merge remote-tracking branch 'origin/master' 2023-05-30 17:42:38 +02:00
Dominik Demuth
c8287c2dbf fix missing return of comments in asciireader 2023-05-30 17:42:12 +02:00
Dominik Demuth
a8a7e75501 plot DSC data and baselines 2023-05-30 17:36:44 +02:00
Dominik Demuth
30750cc4ed more ui 2023-05-26 18:22:13 +02:00
Dominik Demuth
af14793286 more ui 2023-05-26 17:28:06 +02:00
Dominik Demuth
2906c17472 more ui 2023-05-24 19:34:06 +02:00
5590b5cd16 SelectionWidget has no function show_as_local_parameter; fixes #75 2023-05-24 09:00:31 +00:00
Dominik Demuth
09e415babf begin work on gui 2023-05-23 19:23:13 +02:00
4e2938b2a2 proper handling of sets without label,; closes #73 2023-05-23 06:40:08 +00:00
Dominik Demuth
685b9d2316 HN + Excess wing 2023-05-22 18:50:03 +02:00
Dominik Demuth
b91fbf7621 tg evaluation in dsc 2023-05-22 18:49:49 +02:00
Dominik Demuth
8d55430246 binning added to points 2023-05-22 18:49:27 +02:00
Dominik Demuth
8d06240205 Merge branch 'fit' 2023-05-19 18:14:29 +02:00
Dominik Demuth
65034d4518 sub function show numbering; closes #70 2023-05-19 18:13:57 +02:00
Dominik Demuth
2adf15104f attempt to only show real/imag part of complex fit functions; closes #72 2023-05-19 17:35:32 +02:00
Dominik Demuth
cd9c85c12b add FID as fallback option for dtype in nmrreader 2023-05-19 16:56:01 +02:00
Dominik Demuth
84d136dd4c .nmr files recognize all data types; closes #71 2023-05-19 16:53:54 +02:00
Dominik Demuth
f60e125487 display parameter name with number ind window 2023-05-19 16:41:24 +02:00
Dominik Demuth
1e9a390ae2 attempt to distinguish general and set-specifi parameter 2023-05-19 16:17:49 +02:00
Dominik Demuth
8673e5acdb catch error in f-test 2023-05-19 16:00:04 +02:00
Dominik Demuth
66a0e40a23 display correct start parameter 2023-05-19 15:48:32 +02:00
Dominik Demuth
a1ab6335c5 remove remnants of fitresult redesign; closes #68 2023-05-19 13:25:56 +02:00
Dominik Demuth
09a2b61160 read text files as BDS and DSC 2023-05-19 13:02:58 +02:00
Dominik Demuth
681b49a22f Merge branch 'read_fc' 2023-05-19 11:37:42 +02:00
Dominik Demuth
3dcd44c3ee restore optionality to figure saving 2023-05-19 11:37:24 +02:00
Dominik Demuth
6e9dd4d45f use gnuplot as lightweight plotter 2023-05-19 11:33:02 +02:00
Dominik Demuth
67d60949b5 plot fit and residual together with bigger fit 2023-05-18 20:43:45 +02:00
Dominik Demuth
fcaf43b3eb fixed problem with setting color from context menu 2023-05-18 18:51:02 +02:00
Dominik Demuth
49101565a3 fixed problem with setting color from context menu 2023-05-17 19:41:44 +02:00
255d7c7862 Update 'src/nmreval/io/dsc.py'
remove matplotlib import
2023-05-17 15:39:36 +00:00
Dominik Demuth
12dacb73b3 add QMessageBox to display existing backup files 2023-05-16 20:05:55 +02:00
Dominik Demuth
b127cc15e2 dsc: only use low temperature to baseline correct calibration without enthalpy 2023-05-16 19:22:50 +02:00
Dominik Demuth
bc215ce32b some stuff done 2023-05-16 17:45:39 +02:00
Dominik Demuth
996b0b2ae2 tnm function with numpy arrays 2023-05-14 20:05:10 +02:00
Dominik Demuth
753cd06dd1 pick position remembers selected destination graph; closes #62 2023-05-14 18:16:23 +02:00
Dominik Demuth
45d319834b fitresult window is reused and remembers fitplot range/log; closes #65
add color to sub-functions in fit result window
Fitresult window shows one set at a time, more space for plot; closes #66
2023-05-14 15:24:25 +02:00
Dominik Demuth
11ed3c16eb add tnmh stuff 2023-05-13 19:23:15 +02:00
Dominik Demuth
edf858da29 hacky solution to have correct tuda colors in agr file; closes #63 2023-05-11 20:12:32 +02:00
Dominik Demuth
e10b85b904 more correct lines preview in asciireader 2023-05-11 18:28:03 +02:00
Dominik Demuth
267554b252 check for empty line moved to avoid error 2023-05-11 18:00:29 +02:00
Dominik Demuth
233cdd9f80 add gnuplot to requirements for plots of FC reading 2023-05-10 17:09:11 +02:00
Dominik Demuth
15c959fd71 save fit parameter adds name to file as extra comment; possible solution for #59 2023-05-08 19:54:55 +02:00
Dominik Demuth
1378cf6ac7 Fitresult accepts label argument as set name 2023-05-08 18:48:08 +02:00
Dominik Demuth
a964e02612 correct baseline and slopes for calibration measurements at high DSC rates 2023-05-08 18:20:04 +02:00
Dominik Demuth
a72e4ba833 add logging to fit exception to retain more info; all references to current graph are either None or id 2023-05-03 19:06:35 +02:00
Dominik Demuth
75ec462efd add logging to fit exception to retain more info and find problem with #56; all references to current graph are either None or id, should close #57 2023-05-03 19:04:25 +02:00
Dominik Demuth
adcd98fc31 dsc baseline uses consistent offset for correction; closes #53 2023-05-02 17:35:28 +02:00
d8cc99cea4 dsc (#55)
closes #53

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #55
2023-04-30 18:21:16 +00:00
Dominik Demuth
7671a56b6f merge cfunc -> main 2023-04-30 14:59:58 +02:00
Dominik Demuth
8086dd5276 finalized c functions 2023-04-29 20:40:32 +02:00
Dominik Demuth
9479364a64 delete item after the iteration to find its index; closes #52 2023-04-27 19:08:14 +02:00
def2a99ed8 datawidget.py: raise AttributeError manually if item is graph, was not always raised; maybe problem of #52 2023-04-27 12:15:43 +02:00
Dominik Demuth
ac4a4d3b8e DSC: remove non-finite values due mismatch in beginnings of sample and empty 2023-04-24 19:24:23 +02:00
Dominik Demuth
dd1c26e285 more work on loggaussian 2023-04-23 19:55:53 +02:00
Dominik Demuth
eba7869c4d data list in QEvalDialog uses current names instead of stored 2023-04-19 19:43:04 +02:00
Dominik Demuth
efd5b34b13 create .local/bin folder for AppImage if not existent 2023-04-19 18:33:11 +02:00
Dominik Demuth
2d472bd44e lower epsabs for integration of energy barrier spec dens 2023-04-19 18:24:29 +02:00
Dominik Demuth
2042148d0f C function for energy distribution spectral density 2023-04-17 20:17:54 +02:00
Dominik Demuth
4a9d50e8a4 refactor Log-Gaussian susceptibility 2023-04-17 17:43:18 +02:00
Dominik Demuth
56b588293d add loggausian to c func and move lookup of c library 2023-04-17 17:31:34 +02:00
59625c1581 more_bugs (#51)
closes #46, #47, #7

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #51
2023-04-16 15:40:58 +00:00
Dominik Demuth
bb3d5ac58b remoce matplotlib import 2023-04-16 14:33:05 +02:00
Dominik Demuth
48861c3f80 remove spurious print 2023-04-16 14:20:40 +02:00
Dominik Demuth
8e2ebfc765 Merge branch 'more_bugs' 2023-04-16 14:17:36 +02:00
Dominik Demuth
924b58beda move iteration of deleting sets inside undo, fixes #36 2023-04-15 15:49:08 +02:00
Dominik Demuth
bd8a4f16ea UpperManagement.deleteDate emits list of sets, indexes in datawidget are now only updated once 2023-04-15 15:40:49 +02:00
Dominik Demuth
e41c42d573 move iteration of deleting sets inside undo 2023-04-15 14:55:14 +02:00
Dominik Demuth
c94231f9d9 add block to graphwindow to stop rescale/legend uupdates 2023-04-15 14:54:25 +02:00
Dominik Demuth
99bb196e5c basic FC reading is working for different script version 2023-04-14 19:17:05 +02:00
Dominik Demuth
e5563d55d5 set graphs in fc reader 2023-04-14 17:58:14 +02:00
Dominik Demuth
abe6ca42c7 added build date of appimage as version; closes #48 2023-04-13 20:03:39 +02:00
Dominik Demuth
29518b9ea0 newer FC scripts are working, now older ones fail 2023-04-12 20:42:33 +02:00
Dominik Demuth
3793f67951 rate and time in exponential function was switched 2023-04-12 20:01:27 +02:00
Dominik Demuth
0251dea563 uncheck fits in data_table 2023-04-12 17:28:12 +02:00
Dominik Demuth
bc034cf4f4 set region flag correctly 2023-04-12 17:27:05 +02:00
Dominik Demuth
3e513a1231 update makefile 2023-04-11 19:06:35 +02:00
Dominik Demuth
ead30d127a add C function for FFHS integration 2023-04-10 19:33:23 +02:00
Dominik Demuth
3b79c571fb eval expression reuses ListWidgetItems of datasets; closes #31 2023-04-09 20:20:37 +02:00
Dominik Demuth
ee8ea4f2c5 remove epsilons from integration, now 50% faster 2023-04-09 19:37:22 +02:00
Dominik Demuth
2c0cdfbd68 add constant to ffhs 2023-04-09 19:37:18 +02:00
Dominik Demuth
767fa5f6fb timer needs to be child of window 2023-04-09 19:37:01 +02:00