Commit Graph

354 Commits

Author SHA1 Message Date
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
02f8a3bb31 fitting (#43)
adjustments to fit to see if fit is at least running, could help with #39

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #43
2023-04-08 18:37:07 +00:00
Dominik Demuth
ffecc9c873 remove duplicates of keys in deletion; may help with #36 2023-04-08 17:16:05 +02:00
0ec0021727 appimage-starter (#42)
create program launcher;
reduced size of appimage;
download of appimages working(?)

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #42
2023-04-08 13:28:13 +00:00
6b71de8265 bug-fixer (#40)
fixes #32, #34, #39

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #40
2023-04-07 13:45:28 +00:00
43285b4bd5 added first version of a backup system (#37)
Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #37
2023-04-05 17:50:06 +00:00
2fbaa94109 catch strange behavior of strptime in get_zsync 2023-04-04 16:43:14 +00:00
ebf3e9635d Update 'src/gui_qt/lib/utils.py' 2023-04-04 15:49:09 +00:00
79befb50f1 Update 'src/gui_qt/lib/utils.py' 2023-04-04 15:41:21 +00:00
0adb530dc2 Update 'src/gui_qt/lib/utils.py' 2023-04-04 15:34:09 +00:00
Dominik Demuth
d7fd8395e5 update zsync location 2023-04-02 19:44:01 +02:00
Dominik Demuth
75f9bc84f8 remove typo; remove unnecessary package 2023-04-02 19:23:04 +02:00
1c98676bee Merge pull request 'show sub-functions in fitresult; closes #26' (#28) from fitting into master
Reviewed-on: #28
2023-04-02 15:42:05 +00:00
Dominik Demuth
8a35a5e6cb show sub-functions in fitresult; closes #26 2023-04-02 17:40:23 +02:00
4e0ff4eddd replace semicolon and commas with spaces in csv; closes #23 2023-03-24 11:03:50 +01:00
de9464ef9f Update 'src/gui_qt/lib/utils.py' 2023-03-17 13:16:24 +00:00
466a63990d Update 'src/gui_qt/lib/utils.py'
logger added to zsync download
2023-03-17 13:15:44 +00:00
8690cb222e ignore errors due to wrong encoding in agr files (#22)
Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #22
2023-03-16 18:49:44 +00:00
28c15ff565 extrapolate_fit (#21)
New sets with arbitrary x range can be created from fit results

Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de>
Reviewed-on: #21
2023-03-12 19:37:10 +00:00
Dominik Demuth
1601f1455c use same value in widget and multimodel to count parameter 2023-03-01 19:27:03 +01:00
Dominik Demuth
b73d6f08b8 asciireader.py avoid IndexError if file has no header 2023-03-01 19:27:03 +01:00
Dominik Demuth
df8a5e5699 redirect issue creation to gitea 2023-02-04 16:15:08 +01:00
Dominik Demuth
fec4103608 look for fits without parent during save; fixes T258 2023-02-02 17:09:04 +01:00
Dominik Demuth
0eb0a4be77 saving removes bad characters 2023-01-26 19:30:39 +01:00
Dominik Demuth
af313c7a58 GraceEditor now clears previously read graphs when calling; fixes T257 2023-01-23 18:45:42 +01:00
Dominik Demuth
bc14b26a5f logging to Updater added 2023-01-20 18:25:29 +01:00
Dominik Demuth
aa33706f5b update: new AppImage is executable 2023-01-16 20:16:40 +01:00
Dominik Demuth
e997712f0a number of function parameter is counted correctly when setting new values 2023-01-15 19:09:28 +01:00
Dominik Demuth
5b0c5bb4bb removed symbols from shift/scale, combobox in fitparameter respects sizehint 2023-01-15 16:33:57 +01:00
Dominik Demuth
ccbdf72416 agr files with skipped set/graph numbers were not read nor written; fixes T252 2023-01-14 17:05:29 +01:00
Dominik Demuth
0e62f01103 set precision when saving data; fixes T253 2023-01-13 18:53:23 +01:00
Dominik Demuth
34ebaf34bd No overwrite confirm for saving fit parameter needed 2023-01-12 20:11:20 +01:00
Dominik Demuth
89a3313e74 display logged error messages within program 2023-01-10 19:46:19 +01:00
Dominik Demuth
a98f454942 added flag to FileDialog for open and save mode; fixes T251 2023-01-10 18:40:57 +01:00
Dominik Demuth
e306be3001 quickfix: do not check for invalid characters 2023-01-10 14:56:30 +01:00
Dominik Demuth
71f8871445 dialog to create fit functions 2023-01-08 19:30:15 +01:00
Dominik Demuth
f05d28f6e6 added autophase; fixes T217 2023-01-07 19:13:13 +01:00
Dominik Demuth
6533754e3a removed obsolete _rc folder 2023-01-07 18:19:15 +01:00
Dominik Demuth
46952e1648 Sort option to context menu in data tree added; fixes T226 2023-01-07 18:00:38 +01:00
Dominik Demuth
2c09573d2a Display graph/set number in tree; fixes T243 2023-01-07 14:30:10 +01:00
Dominik Demuth
6eff9b5d91 Updating and downloading of AppImages might work 2023-01-06 20:40:31 +01:00
Dominik Demuth
bfe28f127d replaced exception with warning if maximum number of colors is reached; fixes T250 2023-01-05 17:23:30 +01:00
Dominik Demuth
04eb83a19d crude updater added; write_state uses plain text, not pickle; disallow invalid characters; T246 2023-01-05 15:27:33 +01:00
Dominik Demuth
2ed390ccae cleanup of text reader 2022-12-30 16:32:32 +01:00
Dominik Demuth
a4950839d0 reworked import of text files; fixes T249 2022-12-30 14:07:38 +01:00
Dominik Demuth
bf437ef8a7 weird bug for log-scaling fixed; fixes T248 2022-12-30 14:06:25 +01:00
Dominik Demuth
b1e54c8432 fixed typo in t1 calculation, extra context for graphs: fixes T242; fixes T245 2022-11-29 20:58:27 +01:00
Dominik Demuth
377454b683 menu item for easier bug reports; renaming of plot to graph; fixes T237; fixes T241; 2022-11-28 20:37:06 +01:00
Dominik Demuth
69206235af bugfix: reader read also previous files 2022-11-28 15:10:07 +01:00
Dominik Demuth
d91371406a Remove matplotlib dependence to fix T234 2022-11-25 20:05:52 +01:00
Markus Rosenstihl
8485fa28bc set Terminal=false for desktop file 2022-11-20 14:46:32 +01:00
Markus Rosenstihl
91d3f586c1 Merge branch 'master' of ssh://chaos3.fkp.physik.tu-darmstadt.de/source/nmreval 2022-11-20 14:27:55 +01:00
Markus Rosenstihl
814ff97e62 added:
- desktop file
  - .gitignore

AppImageBuilde.yml points now to update source (TBD)
2022-11-20 14:26:12 +01:00
dominik
4ca8f434aa value tab plots complex selection; graphwindows shows last path for export; filedialog uses call not init 2022-11-19 17:59:35 +01:00
Markus Rosenstihl
3a13664a03 fixed shebang line for real 2022-11-18 22:53:28 +01:00
dominik
a61dc40343 export to grace uses current set order 2022-11-14 20:12:15 +01:00
dominik
091677991b save fit parameter does not confirm overwrite; export graphics with try-catch around get_data_opts; 2022-11-08 20:07:16 +01:00
dominik
a746afadff interactive integration; new user-defined fit functions reloads model list; fixed requirements.txt 2022-11-07 20:44:18 +01:00
dominik
47f11a073c Merge remote-tracking branch 'origin/master' 2022-11-04 17:24:04 +01:00
dominik
de9d9d3bd3 integration limits were not available 2022-11-04 17:19:43 +01:00
Dominik Demuth
ccb44fc038 BUGFIX: integration limits are not possible 2022-11-04 15:53:40 +01:00
Dominik Demuth
917f1c3910 Da hat jemand nicht aufgepasst 2022-11-01 15:03:40 +01:00
dominik
0ba872571b save previews in graphics 2022-10-30 18:45:43 +01:00
dominik
8d148b639b BUGFIX: VFT;
change to src layout
2022-10-20 17:23:15 +02:00