IPKM/nmreval
14
2
Fork 1
Code Issues 37 Pull Requests Actions Packages Projects Releases Wiki Activity

use tree colors in fit result for sub-funcs

Browse Source
This commit is contained in:
Dominik Demuth 2024-02-27 16:34:34 +01:00
parent 575cb5e8f6
commit 4904618467
3 changed files with 50 additions and 29 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

51
src/gui_qt/fit/result.py
View File

@ -1,6 +1,6 @@
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
@ -16,7 +16,7 @@ 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)
@ -34,6 +34,7 @@ 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')
@ -45,21 +46,29 @@ 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)
@ -82,13 +91,14 @@ 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)
@ -190,10 +200,11 @@ 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:
@ -202,8 +213,8 @@ 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)

8
src/gui_qt/main/mainwindow.py
View File

@ -946,19 +946,19 @@ 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()

20
src/gui_qt/main/management.py
View File

@ -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)
@ -569,13 +569,23 @@ 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)