IPKM/nmreval
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Merge branch 'master' into 242-uncaught-exception

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Dominik Demuth 2024-02-27 14:19:17 +00:00
commit b39af1e99d
3 changed files with 11 additions and 5 deletions
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6
src/gui_qt/io/asciireader.py
View File

@ -38,7 +38,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
self.changestaggeredrange(0) self.changestaggeredrange(0)
self.ascii_table.contextMenuEvent = self.ctx_table self.ascii_table.contextMenuEvent = self.ctx_table
self.ascii_table.horizontalHeader().setContextMenuPolicy(QtCore.Qt.CustomContextMenu) self.ascii_table.horizontalHeader().setContextMenuPolicy(QtCore.Qt.ContextMenuPolicy.CustomContextMenu)
self.ascii_table.horizontalHeader().customContextMenuRequested.connect(self.ctx_table) self.ascii_table.horizontalHeader().customContextMenuRequested.connect(self.ctx_table)
self.skip = False self.skip = False
@ -65,7 +65,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
self.set_column_names(1) self.set_column_names(1)
self.skippy_checkbox.blockSignals(True) self.skippy_checkbox.blockSignals(True)
self.skippy_checkbox.setCheckState(QtCore.Qt.Unchecked) self.skippy_checkbox.setCheckState(QtCore.Qt.CheckState.Unchecked)
self.skippy_checkbox.blockSignals(False) self.skippy_checkbox.blockSignals(False)
return self return self
@ -232,7 +232,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
@QtCore.pyqtSlot(int, name='on_buttonGroup_buttonClicked') @QtCore.pyqtSlot(int, name='on_buttonGroup_buttonClicked')
def show_error(self, val: int): def show_error(self, val: int):
self.deltay_lineEdit.setEnabled(val == -3) self.deltay_lineEdit.setEnabled(val == -2)
@QtCore.pyqtSlot(int, name='on_skippy_checkbox_stateChanged') @QtCore.pyqtSlot(int, name='on_skippy_checkbox_stateChanged')
def skip_next_dial(self, _: int): def skip_next_dial(self, _: int):

8
src/nmreval/fit/result.py
View File

@ -401,7 +401,10 @@ class FitResult(Points):
raise ValueError('no fit function available to calculate new y values') raise ValueError('no fit function available to calculate new y values')
new_fit = self.copy() new_fit = self.copy()
y_values = self.func.func(self.p_final, x_values, **self.fun_kwargs) fun_kwargs = {k: v for k, v in self.fun_kwargs.items()}
if self.fun_kwargs.get('complex_mode', -1) == -1:
fun_kwargs.pop('complex_mode', None)
y_values = self.func.func(self.p_final, x_values, **fun_kwargs)
y_values = check_complex(y_values, self.fun_kwargs.get('complex_mode', -1), self._data_complex) y_values = check_complex(y_values, self.fun_kwargs.get('complex_mode', -1), self._data_complex)
new_fit.set_data(x_values, y_values, y_err=0.0) new_fit.set_data(x_values, y_values, y_err=0.0)
@ -414,6 +417,9 @@ class FitResult(Points):
part_functions = [] part_functions = []
actual_mode = self.fun_kwargs.get('complex_mode', -1) actual_mode = self.fun_kwargs.get('complex_mode', -1)
fun_kwargs = {k: v for k, v in self.fun_kwargs.items()}
if self.fun_kwargs.get('complex_mode', -1) == -1:
fun_kwargs.pop('complex_mode', None)
for sub_name, sub_y in zip(self.func.sub_name(), self.func.sub(self.p_final, x_values, **self.fun_kwargs)): for sub_name, sub_y in zip(self.func.sub_name(), self.func.sub(self.p_final, x_values, **self.fun_kwargs)):
sub_y = check_complex(sub_y, actual_mode, self._data_complex) sub_y = check_complex(sub_y, actual_mode, self._data_complex)

2
src/nmreval/io/asciireader.py
View File

@ -49,7 +49,7 @@ class AsciiReader:
with self.fname.open('r') as f: with self.fname.open('r') as f:
for i, line in enumerate(islice(f, len(self.header)+len(self.lines), num_lines)): for i, line in enumerate(islice(f, len(self.header)+len(self.lines), num_lines)):
line = line.strip('\n\t\r, ') line = line.strip('\n\t\r, ')
line = re.sub(r'[\t ;,] *', ';', line) line = re.sub(r'[\t ;,]+', ';', line)
line = line.split(';') line = line.split(';')
try: try: