basic FC reading is working for different script version

src/gui_qt/data/datawidget/datawidget.py

@@ -1,5 +1,6 @@
 from __future__ import annotations
 
+from nmreval.lib.logger import logger
 from nmreval.lib.colors import available_cycles
 
 from .properties import PropWidget
@@ -356,7 +357,10 @@ class DataTree(QtWidgets.QTreeWidget):
                 except AttributeError:
                     idx = self.invisibleRootItem().indexOfChild(item)
                     self.invisibleRootItem().takeChild(idx)
-                    self._checked_graphs.remove(_id)
+                    try:
+                        self._checked_graphs.remove(_id)
+                    except KeyError:
+                        logger.warn(f'Graph {_id} already removed, skip')
 
             iterator += 1
 

src/gui_qt/io/fcbatchreader.py

@@ -54,6 +54,7 @@ class QFCReader(QtWidgets.QDialog, Ui_FCEval_dialog):
             infiles = QtWidgets.QFileDialog.getExistingDirectory(caption='Select input directory',
                                                                  directory=str(self.path),
                                                                  options=QtWidgets.QFileDialog.ShowDirsOnly)
+            infiles = [infiles] if infiles else infiles
 
         if infiles:
             self.listWidget.addItems(infiles)

src/nmreval/io/fcbatchreader.py

@@ -15,7 +15,6 @@ from nmreval.utils.utils import get_temperature, roundrobin
 
 class FCReader:
     def __init__(self, fname: (list | str | pathlib.Path)):
-        print('Hello')
         if isinstance(fname, (str, pathlib.Path)):
             self.fnames = [fname]
         else:
@@ -78,15 +77,15 @@ class FCReader:
         _temp = {}
         reader = HdfReader(filename)
 
-        mag_directory = 'Magnetization'
+        mag_directory = None
         for m in ['Magnetization', 'mag']:
-            try:
+            if m in reader:
                 mag_directory = m
-            except KeyError:
+                break
-                continue
 
-        for mag in reader.get_selected(mag_directory, dtype='points'):
+        if m is not None:
-            _temp[mag.value] = mag
+            for mag in reader.get_selected(mag_directory, dtype='points'):
+                _temp[mag.value] = mag
 
         return _temp
 
@@ -122,14 +121,19 @@ class FCReader:
 
         _temp = {}
         bevo_groups = reader['data'].children
+        no_bevo = False
         for grp in bevo_groups.values():
             for k in grp.data():
-                print(k)
+                try:
+                    # look for parameter, should be missing in older scripts
+                    bevo = k.parameter['bevo']
+                except KeyError:
+                    no_bevo = True
+                    break
+
                 if str(k.parent) != 'ACC_ABS_FID_sig (group)':
                     continue
 
-                print(k.path, k, k.parent, k.parameter['bevo'], k.parameter['tevo'])
-                bevo = k.parameter['bevo']
                 tevo = k.parameter['tevo']
 
                 s = reader.make_signal(k, flag='fid', value='tevo', group='bevo')
@@ -140,15 +144,20 @@ class FCReader:
 
                 _temp[bevo].append((tevo, *[pp[1] for pp in pts]))
 
-        # sig = reader.get_selected('/data/B=*/ACC_ABS_FID*', dtype='signal')
+            if no_bevo:
-        # _temp = {}
+                break
-        # for s in sig:
+
-        #     pts = s.points([region])
+        if no_bevo:
-        #     b = s.group
+            # hopefully only for old scripts
-        #     if b not in _temp:
+            sig = reader.get_selected('/data/B=*/ACC_ABS_FID*', dtype='signal')
-        #         _temp[b] = []
+            _temp = {}
-        #
+            for s in sig:
-        #     _temp[b].append([s.value, *[pp[1] for pp in pts]])
+                pts = s.points([region])
+                b = s.group
+                if b not in _temp:
+                    _temp[b] = []
+
+                _temp[b].append([s.value, *[pp[1] for pp in pts]])
 
         for b, m in sorted(_temp.items()):
             m = np.array(m)
@@ -410,12 +419,3 @@ class FCReader:
     @staticmethod
     def kww(x, m0, off, t1, beta):
         return m0 * np.exp(-(x/t1)**beta) + off
-
-
-if __name__ == '__main__':
-    test = FCReader('/autohome/dominik/nmreval/testdata/fc_test/314K_2015-09-03_1605.h5')
-    test.load_magnetization(region=(None, None))
-
-    # test = FCReader('/autohome/dominik/nmreval/testdata/fc_test/2023-03-16_1423.h5')
-    # test.load_magnetization(region=(None, None))
-    print(test.data)