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interactive integration; new user-defined fit functions reloads model list; fixed requirements.txt

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dominik
2022-11-07 20:44:18 +01:00
parent 47f11a073c
commit a746afadff
17 changed files with 626 additions and 358 deletions
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98
src/gui_qt/data/integral_widget.py
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@ -2,6 +2,10 @@ from itertools import cycle
import pyqtgraph as pg
from numpy import nanmax, nanmin, inf, argsort, where
from nmreval.lib.colors import Tab10
from ..lib.pg_objects import PlotItem, RegionItem
try:
# numpy > 1.19 renamed some integration functions
from scipy.integrate import cumulative_trapezoid
@ -13,31 +17,33 @@ from .._py.integral_widget import Ui_Form
class IntegralWidget(QtWidgets.QWidget, Ui_Form):
colors = cycle(['red', 'green', 'blue', 'cyan', 'magenta',
'darkRed', 'darkGreen', 'darkBlue', 'darkCyan', 'darkMagenta'])
colors = cycle(Tab10)
requestData = QtCore.pyqtSignal(str)
item_deleted = QtCore.pyqtSignal(pg.GraphicsObject)
newData = QtCore.pyqtSignal(str, list)
def __init__(self, parent=None):
super().__init__(parent=parent)
self.setupUi(self)
self.connected_figure = ''
self.management = None
self.graph_shown = None
self.shown_set = None
self._data = None
self.ranges = []
self.lines = []
self.areas = []
self._x = None
self._y = None
self.max_area = 0
self.max_y = inf
self.min_y = -inf
def __call__(self, graph_name, items):
self.label_2.setText(f'Connected to <b>{graph_name}</b>')
self.label_2.setText(f'Connected to {graph_name}\nChanging tab will remove all integration limits.')
self.clear()
@ -50,7 +56,7 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
self.set_combobox.blockSignals(False)
self.set_combobox.setCurrentIndex(0)
self.set_combobox.currentIndexChanged.emit(0)
self.change_set(0)
return self
@ -61,26 +67,29 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
super().keyPressEvent(e)
@QtCore.pyqtSlot(int, name='on_set_combobox_currentIndexChanged')
def change_set(self, idx: int):
key = self.set_combobox.itemData(idx)
self.requestData.emit(key)
def change_set(self, _: int):
# key = self.set_combobox.itemData(idx)
key = self.set_combobox.currentData()
def set_data(self, ptr):
self._data = ptr
self._data = self.management[key]
self.max_y = nanmax(self._data.y.real)
self.min_y = nanmin(self._data.y.real)
for idx, rnge in enumerate(self.ranges):
self._update_values(idx, rnge)
def add(self, pos):
x = pos[0]
self.ranges.append((x, x * 1.1))
self.ranges.append((x, x*1.1))
c = next(IntegralWidget.colors)
qc = QtGui.QColor(c)
qc = QtGui.QColor(c.hex())
qc.setAlpha(40)
region = pg.LinearRegionItem(values=[x, x*1.1], brush=QtGui.QBrush(qc), pen=pg.mkPen(QtGui.QColor(c)))
integral_plot = pg.PlotDataItem(x=[], y=[])
pen = pg.mkPen({f'color': c.rgb()})
region = RegionItem(values=[x, x*1.1], mode='mid', brush=QtGui.QBrush(qc), pen=pen)
integral_plot = PlotItem(x=[], y=[], pen=pen)
region.sigRegionChanged.connect(self._update_integral)
self.lines.append((region, integral_plot))
@ -93,7 +102,7 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
item = QtWidgets.QTreeWidgetItem()
item.setText(0, f'Integral {len(self.ranges)}')
item.setForeground(0, QtGui.QBrush(QtGui.QColor(c)))
item.setForeground(0, QtGui.QBrush(QtGui.QColor(c.hex())))
pts_i = self.ranges[-1]
item_list = []
@ -127,7 +136,8 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
def _update_values(self, idx, new_range):
self.ranges[idx] = new_range
area = self.calc_integral(idx, *new_range)
area = self.make_integral(idx, *new_range)
item = self.treeWidget.topLevelItem(idx)
item.child(0).setText(0, f'Start: {new_range[0]:.5g}')
@ -157,18 +167,18 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
scale = (self.max_y - self.min_y) / y_i[-1] * (area_i / max_value)
integral_line.setData(x=x_i, y=y_i * scale)
def calc_integral(self, idx, x_min, x_max):
int_range = where((self._data.x >= x_min) & (self._data.x <= x_max))[0]
if len(int_range) > 1:
x_int = self._data.x[int_range]
y_int = self._data.y[int_range].real
order = argsort(x_int)
def make_integral(self, idx, x_min, x_max):
if self._data is None:
self.change_set(0)
integral = cumulative_trapezoid(y=y_int[order], x=x_int[order], initial=0)
scale = (self.max_y-self.min_y) / integral[-1]
self.lines[idx][1].setData(x=x_int[order], y=integral*scale + self.min_y)
integral = self._data.data.integrate(limits=(x_min, x_max), asarray=True)
return integral[-1]
if integral.size != 0:
area = integral[-1, 1]
scale = (self.max_y-self.min_y) / area
self.lines[idx][1].setData(x=integral[:, 0], y=integral[:, 1]*scale + self.min_y)
return area
else:
self.lines[idx][1].setData(x=[], y=[])
@ -179,24 +189,36 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
for item in self.treeWidget.selectedItems():
idx = root.indexOfChild(item)
self.ranges.pop(idx)
self.item_deleted.emit(self.lines[idx][0])
self.item_deleted.emit(self.lines[idx][1])
self.ranges.pop(idx)
self.lines.pop(idx)
self.areas.pop(idx)
self.treeWidget.takeTopLevelItem(idx)
@QtCore.pyqtSlot(name='on_pushButton_clicked')
def convert_to_datasets(self):
set_id = self.set_combobox.currentData()
values = []
for i in range(len(self.ranges)):
x_i, y_i = self.lines[i][1].getData()
start_i, stop_i = self.ranges[i]
area_i = self.areas[i]
values.append((x_i, y_i, start_i, stop_i, area_i))
set_values = []
areas = []
self.newData.emit(set_id, values)
new_sets = True
for r in self.ranges:
area_i = []
for idx in range(self.set_combobox.count()):
set_id = self.set_combobox.itemData(idx)
d = self.management[set_id]
if new_sets:
set_values.append(d.value)
integration = d.data.integrate(limits=r, asarray=True)
area_i.append(integration[-1, 1])
areas.append(area_i)
new_sets = False
self.management.integral_datasets(self.ranges, set_values, areas)
def clear(self):
self.connected_figure = ''
@ -204,6 +226,7 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
self.shown_set = None
self._data = None
self.areas = []
self.ranges = []
self.lines = []
@ -211,3 +234,6 @@ class IntegralWidget(QtWidgets.QWidget, Ui_Form):
self.max_y = inf
self.min_y = -inf
self.treeWidget.clear()