forked from IPKM/nmreval
bugfixes (#188)
Bugfixes for several issues: closes #163, closes #151, closes #176, closes #138, closes #104 Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de> Reviewed-on: IPKM/nmreval#188
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@ -10,6 +10,10 @@ from ..lib.tables import TableWidget
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class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):
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"""
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Widget to show a global parameter
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"""
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value_requested = QtCore.pyqtSignal(object)
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value_changed = QtCore.pyqtSignal(str)
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state_changed = QtCore.pyqtSignal()
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@ -73,11 +77,9 @@ class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):
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if bds is not None:
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self.set_bounds(*bds)
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if fixed is not None:
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self.fixed_check.setCheckState(QtCore.Qt.Unchecked if fixed else QtCore.Qt.Checked)
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self.fixed_check.setCheckState(QtCore.Qt.CheckState.Unchecked if fixed else QtCore.Qt.CheckState.Checked)
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if glob is not None:
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self.global_checkbox.setCheckState(QtCore.Qt.Checked if glob else QtCore.Qt.Unchecked)
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self.global_checkbox.setCheckState(QtCore.Qt.CheckState.Checked if glob else QtCore.Qt.CheckState.Unchecked)
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def get_parameter(self):
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try:
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@ -126,7 +128,7 @@ class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):
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is_text = True
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self.global_checkbox.setCheckState(False)
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self.set_fixed(is_text)
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self.set_fixed(is_text or self.fixed_check.isChecked())
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class QSaveModelDialog(QtWidgets.QDialog, Ui_SaveDialog):
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@ -27,6 +27,7 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
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mouseDoubleClicked = QtCore.pyqtSignal()
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positionClicked = QtCore.pyqtSignal(tuple, bool)
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aboutToClose = QtCore.pyqtSignal(list)
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newData = QtCore.pyqtSignal(list, str)
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counter = itertools.count()
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@ -87,6 +88,9 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
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self.bwbutton.toggled.connect(self.change_background)
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self.setAcceptDrops(True)
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self.graphic.installEventFilter(self)
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def _init_gui(self):
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self.setWindowTitle('Graph ' + str(next(QGraphWindow.counter)))
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@ -119,6 +123,34 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
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for lineedit in [self.xmin_lineedit, self.xmax_lineedit, self.ymin_lineedit, self.ymax_lineedit]:
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lineedit.setValidator(QtGui.QDoubleValidator())
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def eventFilter(self, obj: QtCore.QObject, evt: QtCore.QEvent):
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"""
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Catch drag and Drop to prevent anything inside self.graphic to accept the events.
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Without event filter, we cannot process it here and start file reading
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"""
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if evt.type() == QtCore.QEvent.Type.DragEnter:
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evt.accept()
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return True
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elif evt.type() == QtCore.QEvent.Type.Drop:
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return self._handle_drop(evt)
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else:
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return False
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def dropEvent(self, evt: QtGui.QDropEvent):
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return self._handle_drop(evt)
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def _handle_drop(self, evt: QtGui.QDropEvent):
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if evt.mimeData().hasUrls():
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files = [str(url.toLocalFile()) for url in evt.mimeData().urls()]
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self.newData.emit(files, self.id)
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evt.accept()
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return True
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return False
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def __contains__(self, item: str):
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return item in self.sets
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@ -304,6 +336,8 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
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if item in self.graphic.items():
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self.graphic.removeItem(item)
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self.show_legend()
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@QtCore.pyqtSlot(bool, name='on_imag_button_toggled')
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@QtCore.pyqtSlot(bool, name='on_real_button_toggled')
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def set_imag_visible(self, visible: bool):
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@ -7,8 +7,11 @@ from ..graphs.graphwindow import QGraphWindow
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class MdiAreaTile(QtWidgets.QMdiArea):
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newData = QtCore.pyqtSignal(list)
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def __init__(self, parent=None):
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super().__init__(parent=parent)
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self.setAcceptDrops(True)
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def tileSubWindowsVertically(self):
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window_list = self.subWindowList()
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@ -47,3 +50,8 @@ class MdiAreaTile(QtWidgets.QMdiArea):
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if isinstance(wdgt, QGraphWindow) and wdgt.id == key:
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self.setActiveSubWindow(win)
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break
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def dropEvent(self, evt):
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if evt.mimeData().hasUrls():
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files = [str(url.toLocalFile()) for url in evt.mimeData().urls()]
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self.newData.emit(files)
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@ -108,7 +108,7 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
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self.fitlim_button.setIcon(get_icon('fit_region'))
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self.toolBar_fit.addWidget(self.fitlim_button)
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self.area.dragEnterEvent = self.dragEnterEvent
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# self.area.dragEnterEvent = self.dragEnterEvent
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while self.tabWidget.count() > 2:
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self.tabWidget.removeTab(self.tabWidget.count()-1)
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@ -201,6 +201,8 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
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self.management.unset_state.connect(lambda x: self.datawidget.uncheck_sets(x))
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self.management.fitFinished.connect(self.show_fit_results)
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self.area.newData.connect(lambda x: self.management.load_files(x))
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self.fit_dialog._management = self.management
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self.fit_dialog.preview_emit.connect(self.show_fit_preview)
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self.fit_dialog.fitStartSig.connect(self.start_fit)
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@ -469,6 +471,7 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
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w.mousePositionChanged.connect(self.mousemoved)
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w.aboutToClose.connect(self.management.delete_sets)
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w.positionClicked.connect(self.point_selected)
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w.newData.connect(lambda x, y: self.management.load_files(x, new_plot=y))
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w.show()
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graph_list = self.management.graphs.list()
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@ -234,6 +234,10 @@ class FitRoutine(object):
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# get variable parameter for fitter
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p0_k, lb_k, ub_k, var_pars_k = self._prep_data(data)
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if p0_k is None:
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self.make_results(data, data.para_keys, var_pars_k, data.para_keys, (len(data.para_keys), len(data.para_keys)),
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err=None, corr=None, partial_corr=None)
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else:
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if mode == 'lsq':
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self._least_squares_single(data, p0_k, lb_k, ub_k, var_pars_k)
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@ -247,6 +251,12 @@ class FitRoutine(object):
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else:
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data_pars, p0, lb, ub, var_pars = self._prep_global(data_groups, linked_parameter)
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if not p0:
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for data_k, p_k in zip(data_groups, data_pars):
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self.make_results(data_k, p_k, [], p_k, (len(p_k), len(p_k)),
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err=None, corr=None, partial_corr=None)
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else:
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if mode == 'lsq':
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self._least_squares_global(data_groups, p0, lb, ub, var_pars, data_pars)
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@ -291,7 +301,10 @@ class FitRoutine(object):
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vals.append([v_k.scaled_value, v_k.lb / v_k.scale, v_k.ub / v_k.scale])
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var_pars.append(p_k)
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if vals:
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pp, lb, ub = zip(*vals)
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else:
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pp = lb = ub = None
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return pp, lb, ub, var_pars
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@ -115,6 +115,7 @@ class GraceEditor:
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return s
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def parse(self, filename: str | pathlib.Path):
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self.clear()
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self.file = pathlib.Path(filename)
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# we start always with the header
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@ -215,9 +216,8 @@ class GraceEditor:
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def _make_graph(self, line: str):
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m = self._RE_GRAPH_START.match(line)
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g_idx = int(m.group(1))
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if g_idx < len(self.graphs):
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while g_idx < len(self.graphs):
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# this assumes that graphs are ordered in agr file even if missing, e.g. we read gß, g1, g3, ...
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while g_idx != len(self.graphs):
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self.graphs.append(GraceGraph(len(self.graphs)))
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self.graphs.append(GraceGraph(g_idx))
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@ -354,8 +354,8 @@ class GraceHeader(list):
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class GraceProperties(list):
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_RE_ENTRY = re.compile(r'(?!.*(on|off)$)' # ignore lines that end with on or off
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r'@\s*(?P<graph>[gs]\d+)?\s*' # @ maybe followed by g0 or s12
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r'(?P<key>[\w\s]*)\s+' # key: stops at last space unless comma-separated values
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r'(?P<val>(?:\s*[\d\w.+-]+\s*,)*\s*[\\{}\"\w.+\- ]+)', # one value, maybe more with commas
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r'(?P<key>[\w\s]*\w)*\s+' # key: stops at last space unless comma-separated values
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r'(?P<val>(?<!^)(?:\s*[\d\w.+-]+\s*,)*\s*[\S ]+)', # one value, maybe more with commas
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re.IGNORECASE | re.VERBOSE)
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_RE_ONOFF = re.compile(r'@\s(?P<graph>[gs]\d+)*\s*(?P<val>[\w\s]*)\s+(on|off)')
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@ -730,7 +730,11 @@ class GraceRegion(list):
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def _convert_to_value(parse_string):
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if re.match(r'\".*\"', parse_string):
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tuples = [parse_string]
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else:
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tuples = parse_string.split(',')
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for i, v in enumerate(tuples):
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v = v.strip()
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@ -8,7 +8,6 @@ UNSIGNED_NUMBER_RE = re.compile(r'[-+]?\d*[+p.]?\d+([eE][-+]?\d+)?', re.MULTILIN
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def numbers_from_string(any_string: str) -> list[float]:
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print(any_string)
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matches = []
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for m in NUMBER_RE.finditer(any_string):
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matches.append(float(m.group().replace('p', '.')))
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