use tree colors in fit result for sub-funcs (#253)
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closes #201 Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de> Reviewed-on: #253
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@ -2,7 +2,7 @@ from __future__ import annotations
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from math import isnan
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from pyqtgraph import mkBrush, mkPen
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from pyqtgraph import mkBrush, mkPen, mkColor
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from numpy import abs as np_abs, isfinite as np_isfinite
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from nmreval.utils.text import convert
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@ -18,7 +18,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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closed = QtCore.pyqtSignal(dict, list, str, bool, bool, list)
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redoFit = QtCore.pyqtSignal(dict)
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def __init__(self, results: list, management, parent=None):
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def __init__(self, results: list, sub_colors: dict, management, parent=None):
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super().__init__(parent=parent)
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self.setupUi(self)
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@ -37,6 +37,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self._results = {}
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self.graph_opts = {}
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self.last_idx = None
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self.func_colors = sub_colors
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self.fit_plot = self.graphicsView.addPlot(row=1, col=0, title='Fit')
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self.resid_plot = self.graphicsView.addPlot(row=0, col=0, title='Residual')
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@ -48,21 +49,29 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.graphicsView.ci.layout.setRowStretchFactor(0, 1)
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self.graphicsView.ci.layout.setRowStretchFactor(1, 2)
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self.resid_graph = PlotItem(x=[], y=[],
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symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
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pen=None)
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self.resid_graph_imag = PlotItem(x=[], y=[],
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symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
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pen=None)
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self.resid_graph = PlotItem(
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x=[], y=[],
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symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
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pen=None
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)
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self.resid_graph_imag = PlotItem(
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x=[], y=[],
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symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
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pen=None
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)
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self.resid_plot.addItem(self.resid_graph)
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self.resid_plot.addItem(self.resid_graph_imag)
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self.data_graph = PlotItem(x=[], y=[],
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symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
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pen=None)
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self.data_graph_imag = PlotItem(x=[], y=[],
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symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
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pen=None)
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self.data_graph = PlotItem(
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x=[], y=[],
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symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
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pen=None
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)
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self.data_graph_imag = PlotItem(
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x=[], y=[],
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symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
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pen=None
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)
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self.fit_plot.addItem(self.data_graph)
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self.fit_plot.addItem(self.data_graph_imag)
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@ -85,13 +94,14 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.set_results(results)
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def __call__(self, results: list):
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def __call__(self, results: list, sub_colors: dict):
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self._previous_fits = {}
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self.sets_comboBox.blockSignals(True)
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self.sets_comboBox.clear()
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self.sets_comboBox.blockSignals(False)
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self._results = {}
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self._opts = {}
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self.func_colors = sub_colors
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self.set_results(results)
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@ -193,10 +203,11 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.fit_graph.setData(x=res.x, y=res.y.real)
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self.fit_graph_imag.setData(x=res.x, y=res.y.imag)
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for i, f in enumerate(sub_funcs):
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item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': i, 'style': 2}))
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for f, c in zip(sub_funcs, self.func_colors[idx]):
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col = mkColor(*[c_i*255 for c_i in c])
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item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': col, 'style': 2}))
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self.fit_plot.addItem(item)
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item = PlotItem(x=f.x, y=f.y.imag, pen=mkPen({'color': i, 'style': 2}))
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item = PlotItem(x=f.x, y=f.y.imag, pen=mkPen({'color': col, 'style': 2}))
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self.fit_plot.addItem(item)
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else:
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@ -205,8 +216,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
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self.fit_graph.setData(x=res.x, y=res.y)
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self.fit_graph_imag.setData(x=[], y=[])
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for i, f in enumerate(sub_funcs):
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item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': i, 'style': 2}))
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for f, c in zip(sub_funcs, self.func_colors[idx]):
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item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': mkColor(*[c_i*255 for c_i in c]), 'style': 2}))
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self.fit_plot.addItem(item)
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self._plot_residuals(idx)
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@ -952,19 +952,19 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
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for item in self.fit_dialog.preview_lines:
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g.add_external(item)
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@QtCore.pyqtSlot(list)
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def show_fit_results(self, results: list):
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@QtCore.pyqtSlot(list, dict)
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def show_fit_results(self, results: list, sub_colors: dict[str, tuple[float, float, float]]):
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self.fit_dialog.fit_button.setEnabled(True)
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self.fit_timer.stop()
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self.status.setText('')
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if results:
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if self.fitresult_dialog is None:
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self.fitresult_dialog = QFitResult(results, self.management, parent=self)
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self.fitresult_dialog = QFitResult(results, sub_colors, self.management, parent=self)
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self.fitresult_dialog.add_graphs(self.management.graphs.list())
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self.fitresult_dialog.closed.connect(self.accepts_fit)
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self.fitresult_dialog.redoFit.connect(self.management.redo_fits)
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else:
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self.fitresult_dialog(results)
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self.fitresult_dialog(results, sub_colors)
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self.fitresult_dialog.add_graphs(self.management.graphs.list())
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self.fitresult_dialog.show()
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@ -85,7 +85,7 @@ class UpperManagement(QtCore.QObject):
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newData = QtCore.pyqtSignal([list, str], [list, str, bool])
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deleteData = QtCore.pyqtSignal(list)
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dataChanged = QtCore.pyqtSignal(str)
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fitFinished = QtCore.pyqtSignal(list)
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fitFinished = QtCore.pyqtSignal(list, dict)
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stopFit = QtCore.pyqtSignal()
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properties_collected = QtCore.pyqtSignal(dict)
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unset_state = QtCore.pyqtSignal(list)
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@ -586,13 +586,23 @@ class UpperManagement(QtCore.QObject):
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def end_fit(self, result: list, success: bool):
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if success:
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logger.info('Successful fit')
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self.fitFinished.emit(result)
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sub_colors = {}
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for k, v in self.__fit_options[0].items():
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sub_colors.update({set_id: v['color'] for set_id in v['data_parameter']})
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self.fitFinished.emit(result, sub_colors)
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else:
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e = result[0]
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logger.exception(e, exc_info=True)
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QtWidgets.QMessageBox.warning(QtWidgets.QWidget(), 'Fit failed',
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f'Fit kaput with exception: \n\n{e!r}')
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self.fitFinished.emit([])
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QtWidgets.QMessageBox.warning(
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QtWidgets.QWidget(),
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'Fit failed',
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f'Fit kaput with exception: \n\n{e!r}'
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)
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self.fitFinished.emit([], {})
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self._fit_active = False
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@QtCore.pyqtSlot(dict)
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