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
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
