diff --git a/src/gui_qt/fit/result.py b/src/gui_qt/fit/result.py index 4706cbc..3676175 100644 --- a/src/gui_qt/fit/result.py +++ b/src/gui_qt/fit/result.py @@ -2,7 +2,7 @@ from __future__ import annotations from math import isnan -from pyqtgraph import mkBrush, mkPen +from pyqtgraph import mkBrush, mkPen, mkColor from numpy import abs as np_abs, isfinite as np_isfinite from nmreval.utils.text import convert @@ -18,7 +18,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog): closed = QtCore.pyqtSignal(dict, list, str, bool, bool, list) redoFit = QtCore.pyqtSignal(dict) - def __init__(self, results: list, management, parent=None): + def __init__(self, results: list, sub_colors: dict, management, parent=None): super().__init__(parent=parent) self.setupUi(self) @@ -37,6 +37,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog): self._results = {} self.graph_opts = {} self.last_idx = None + self.func_colors = sub_colors self.fit_plot = self.graphicsView.addPlot(row=1, col=0, title='Fit') self.resid_plot = self.graphicsView.addPlot(row=0, col=0, title='Residual') @@ -48,21 +49,29 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog): self.graphicsView.ci.layout.setRowStretchFactor(0, 1) self.graphicsView.ci.layout.setRowStretchFactor(1, 2) - self.resid_graph = PlotItem(x=[], y=[], - symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)), - pen=None) - self.resid_graph_imag = PlotItem(x=[], y=[], - symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)), - pen=None) + self.resid_graph = PlotItem( + x=[], y=[], + symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)), + pen=None + ) + self.resid_graph_imag = PlotItem( + x=[], y=[], + symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)), + pen=None + ) self.resid_plot.addItem(self.resid_graph) self.resid_plot.addItem(self.resid_graph_imag) - self.data_graph = PlotItem(x=[], y=[], - symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)), - pen=None) - self.data_graph_imag = PlotItem(x=[], y=[], - symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)), - pen=None) + self.data_graph = PlotItem( + x=[], y=[], + symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)), + pen=None + ) + self.data_graph_imag = PlotItem( + x=[], y=[], + symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)), + pen=None + ) self.fit_plot.addItem(self.data_graph) self.fit_plot.addItem(self.data_graph_imag) @@ -85,13 +94,14 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog): self.set_results(results) - def __call__(self, results: list): + def __call__(self, results: list, sub_colors: dict): self._previous_fits = {} self.sets_comboBox.blockSignals(True) self.sets_comboBox.clear() self.sets_comboBox.blockSignals(False) self._results = {} self._opts = {} + self.func_colors = sub_colors self.set_results(results) @@ -193,10 +203,11 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog): self.fit_graph.setData(x=res.x, y=res.y.real) self.fit_graph_imag.setData(x=res.x, y=res.y.imag) - for i, f in enumerate(sub_funcs): - item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': i, 'style': 2})) + for f, c in zip(sub_funcs, self.func_colors[idx]): + col = mkColor(*[c_i*255 for c_i in c]) + item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': col, 'style': 2})) self.fit_plot.addItem(item) - item = PlotItem(x=f.x, y=f.y.imag, pen=mkPen({'color': i, 'style': 2})) + item = PlotItem(x=f.x, y=f.y.imag, pen=mkPen({'color': col, 'style': 2})) self.fit_plot.addItem(item) else: @@ -205,8 +216,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog): self.fit_graph.setData(x=res.x, y=res.y) self.fit_graph_imag.setData(x=[], y=[]) - for i, f in enumerate(sub_funcs): - item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': i, 'style': 2})) + for f, c in zip(sub_funcs, self.func_colors[idx]): + item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': mkColor(*[c_i*255 for c_i in c]), 'style': 2})) self.fit_plot.addItem(item) self._plot_residuals(idx) diff --git a/src/gui_qt/main/mainwindow.py b/src/gui_qt/main/mainwindow.py index 7f637d4..7f6123b 100644 --- a/src/gui_qt/main/mainwindow.py +++ b/src/gui_qt/main/mainwindow.py @@ -952,19 +952,19 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow): for item in self.fit_dialog.preview_lines: g.add_external(item) - @QtCore.pyqtSlot(list) - def show_fit_results(self, results: list): + @QtCore.pyqtSlot(list, dict) + def show_fit_results(self, results: list, sub_colors: dict[str, tuple[float, float, float]]): self.fit_dialog.fit_button.setEnabled(True) self.fit_timer.stop() self.status.setText('') if results: if self.fitresult_dialog is None: - self.fitresult_dialog = QFitResult(results, self.management, parent=self) + self.fitresult_dialog = QFitResult(results, sub_colors, self.management, parent=self) self.fitresult_dialog.add_graphs(self.management.graphs.list()) self.fitresult_dialog.closed.connect(self.accepts_fit) self.fitresult_dialog.redoFit.connect(self.management.redo_fits) else: - self.fitresult_dialog(results) + self.fitresult_dialog(results, sub_colors) self.fitresult_dialog.add_graphs(self.management.graphs.list()) self.fitresult_dialog.show() diff --git a/src/gui_qt/main/management.py b/src/gui_qt/main/management.py index 4b959ee..a75cc2e 100644 --- a/src/gui_qt/main/management.py +++ b/src/gui_qt/main/management.py @@ -85,7 +85,7 @@ class UpperManagement(QtCore.QObject): newData = QtCore.pyqtSignal([list, str], [list, str, bool]) deleteData = QtCore.pyqtSignal(list) dataChanged = QtCore.pyqtSignal(str) - fitFinished = QtCore.pyqtSignal(list) + fitFinished = QtCore.pyqtSignal(list, dict) stopFit = QtCore.pyqtSignal() properties_collected = QtCore.pyqtSignal(dict) unset_state = QtCore.pyqtSignal(list) @@ -586,13 +586,23 @@ class UpperManagement(QtCore.QObject): def end_fit(self, result: list, success: bool): if success: logger.info('Successful fit') - self.fitFinished.emit(result) + + sub_colors = {} + for k, v in self.__fit_options[0].items(): + sub_colors.update({set_id: v['color'] for set_id in v['data_parameter']}) + + self.fitFinished.emit(result, sub_colors) + else: e = result[0] logger.exception(e, exc_info=True) - QtWidgets.QMessageBox.warning(QtWidgets.QWidget(), 'Fit failed', - f'Fit kaput with exception: \n\n{e!r}') - self.fitFinished.emit([]) + QtWidgets.QMessageBox.warning( + QtWidgets.QWidget(), + 'Fit failed', + f'Fit kaput with exception: \n\n{e!r}' + ) + self.fitFinished.emit([], {}) + self._fit_active = False @QtCore.pyqtSlot(dict)