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
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
