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split tg calculation from tnmh model

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This commit is contained in:
Dominik Demuth
2023-06-12 17:20:58 +02:00
parent 9f6d4e0d0c
commit 92c29bec2a
8 changed files with 347 additions and 191 deletions
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152
src/gui_qt/_py/tnmh_dialog.py
View File

@ -17,36 +17,70 @@ class Ui_Dialog(object):
Dialog.resize(1042, 683)
self.gridLayout = QtWidgets.QGridLayout(Dialog)
self.gridLayout.setObjectName("gridLayout")
self.verticalLayout_2 = QtWidgets.QVBoxLayout()
self.verticalLayout_2.setObjectName("verticalLayout_2")
self.label = QtWidgets.QLabel(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
self.stackedWidget = QtWidgets.QStackedWidget(Dialog)
self.stackedWidget.setFrameShape(QtWidgets.QFrame.StyledPanel)
self.stackedWidget.setFrameShadow(QtWidgets.QFrame.Raised)
self.stackedWidget.setObjectName("stackedWidget")
self.stackedWidgetPage1 = QtWidgets.QWidget()
self.stackedWidgetPage1.setObjectName("stackedWidgetPage1")
self.gridLayout_3 = QtWidgets.QGridLayout(self.stackedWidgetPage1)
self.gridLayout_3.setObjectName("gridLayout_3")
self.checkBox = QtWidgets.QCheckBox(self.stackedWidgetPage1)
self.checkBox.setObjectName("checkBox")
self.gridLayout_3.addWidget(self.checkBox, 1, 1, 1, 1)
self.checkBox_2 = QtWidgets.QCheckBox(self.stackedWidgetPage1)
self.checkBox_2.setText("")
self.checkBox_2.setObjectName("checkBox_2")
self.gridLayout_3.addWidget(self.checkBox_2, 2, 1, 1, 1)
self.pushButton = QtWidgets.QPushButton(self.stackedWidgetPage1)
self.pushButton.setObjectName("pushButton")
self.gridLayout_3.addWidget(self.pushButton, 0, 1, 1, 1)
self.comboBox_2 = CheckCombobox(self.stackedWidgetPage1)
self.comboBox_2.setObjectName("comboBox_2")
self.gridLayout_3.addWidget(self.comboBox_2, 3, 1, 1, 1)
self.graphicsView_3 = PlotWidget(self.stackedWidgetPage1)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.MinimumExpanding)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth())
self.label.setSizePolicy(sizePolicy)
self.label.setAlignment(QtCore.Qt.AlignLeading|QtCore.Qt.AlignLeft|QtCore.Qt.AlignTop)
self.label.setObjectName("label")
self.verticalLayout_2.addWidget(self.label)
self.label_3 = QtWidgets.QLabel(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label_3.sizePolicy().hasHeightForWidth())
self.label_3.setSizePolicy(sizePolicy)
self.label_3.setText("")
self.label_3.setObjectName("label_3")
self.verticalLayout_2.addWidget(self.label_3)
self.label_4 = QtWidgets.QLabel(Dialog)
self.label_4.setObjectName("label_4")
self.verticalLayout_2.addWidget(self.label_4)
self.label_5 = QtWidgets.QLabel(Dialog)
self.label_5.setText("")
self.label_5.setObjectName("label_5")
self.verticalLayout_2.addWidget(self.label_5)
spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_2.addItem(spacerItem)
self.gridLayout.addLayout(self.verticalLayout_2, 0, 3, 2, 1)
sizePolicy.setHeightForWidth(self.graphicsView_3.sizePolicy().hasHeightForWidth())
self.graphicsView_3.setSizePolicy(sizePolicy)
self.graphicsView_3.setObjectName("graphicsView_3")
self.gridLayout_3.addWidget(self.graphicsView_3, 0, 0, 4, 1)
self.stackedWidget.addWidget(self.stackedWidgetPage1)
self.page = QtWidgets.QWidget()
self.page.setObjectName("page")
self.gridLayout_2 = QtWidgets.QGridLayout(self.page)
self.gridLayout_2.setObjectName("gridLayout_2")
self.pushButton_2 = QtWidgets.QPushButton(self.page)
self.pushButton_2.setObjectName("pushButton_2")
self.gridLayout_2.addWidget(self.pushButton_2, 0, 1, 1, 1)
self.horizontalLayout = QtWidgets.QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
self.label_2 = QtWidgets.QLabel(self.page)
self.label_2.setObjectName("label_2")
self.horizontalLayout.addWidget(self.label_2)
self.comboBox = QtWidgets.QComboBox(self.page)
self.comboBox.setObjectName("comboBox")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.horizontalLayout.addWidget(self.comboBox)
self.gridLayout_2.addLayout(self.horizontalLayout, 1, 1, 1, 1)
self.pushButton_3 = QtWidgets.QPushButton(self.page)
self.pushButton_3.setObjectName("pushButton_3")
self.gridLayout_2.addWidget(self.pushButton_3, 2, 1, 1, 1)
self.graphicsView_2 = PlotWidget(self.page)
self.graphicsView_2.setObjectName("graphicsView_2")
self.gridLayout_2.addWidget(self.graphicsView_2, 0, 0, 3, 1)
self.stackedWidget.addWidget(self.page)
self.gridLayout.addWidget(self.stackedWidget, 1, 1, 1, 1)
self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
self.buttonBox.setObjectName("buttonBox")
self.gridLayout.addWidget(self.buttonBox, 2, 1, 1, 1)
self.graphicsView = PlotWidget(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.MinimumExpanding)
sizePolicy.setHorizontalStretch(0)
@ -54,10 +88,7 @@ class Ui_Dialog(object):
sizePolicy.setHeightForWidth(self.graphicsView.sizePolicy().hasHeightForWidth())
self.graphicsView.setSizePolicy(sizePolicy)
self.graphicsView.setObjectName("graphicsView")
self.gridLayout.addWidget(self.graphicsView, 0, 2, 1, 1)
self.graphicsView_2 = PlotWidget(Dialog)
self.graphicsView_2.setObjectName("graphicsView_2")
self.gridLayout.addWidget(self.graphicsView_2, 1, 2, 1, 1)
self.gridLayout.addWidget(self.graphicsView, 0, 1, 1, 1)
self.verticalLayout = QtWidgets.QVBoxLayout()
self.verticalLayout.setObjectName("verticalLayout")
self.listWidget = QtWidgets.QListWidget(Dialog)
@ -68,37 +99,29 @@ class Ui_Dialog(object):
self.listWidget.setSizePolicy(sizePolicy)
self.listWidget.setObjectName("listWidget")
self.verticalLayout.addWidget(self.listWidget)
self.pushButton = QtWidgets.QPushButton(Dialog)
self.pushButton.setObjectName("pushButton")
self.verticalLayout.addWidget(self.pushButton)
self.pushButton_2 = QtWidgets.QPushButton(Dialog)
self.pushButton_2.setObjectName("pushButton_2")
self.verticalLayout.addWidget(self.pushButton_2)
self.horizontalLayout = QtWidgets.QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
self.label_2 = QtWidgets.QLabel(Dialog)
self.label_2.setObjectName("label_2")
self.horizontalLayout.addWidget(self.label_2)
self.comboBox = QtWidgets.QComboBox(Dialog)
self.comboBox.setObjectName("comboBox")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.comboBox.addItem("")
self.horizontalLayout.addWidget(self.comboBox)
self.verticalLayout.addLayout(self.horizontalLayout)
self.pushButton_3 = QtWidgets.QPushButton(Dialog)
self.pushButton_3.setObjectName("pushButton_3")
self.verticalLayout.addWidget(self.pushButton_3)
self.gridLayout.addLayout(self.verticalLayout, 0, 0, 3, 1)
self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
self.buttonBox.setObjectName("buttonBox")
self.gridLayout.addWidget(self.buttonBox, 3, 2, 1, 2)
self.label = QtWidgets.QLabel(Dialog)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth())
self.label.setSizePolicy(sizePolicy)
self.label.setAlignment(QtCore.Qt.AlignLeading|QtCore.Qt.AlignLeft|QtCore.Qt.AlignTop)
self.label.setObjectName("label")
self.verticalLayout.addWidget(self.label)
self.label_3 = QtWidgets.QLabel(Dialog)
self.label_3.setObjectName("label_3")
self.verticalLayout.addWidget(self.label_3)
self.label_4 = QtWidgets.QLabel(Dialog)
self.label_4.setObjectName("label_4")
self.verticalLayout.addWidget(self.label_4)
self.label_5 = QtWidgets.QLabel(Dialog)
self.label_5.setText("")
self.label_5.setObjectName("label_5")
self.verticalLayout.addWidget(self.label_5)
self.gridLayout.addLayout(self.verticalLayout, 0, 0, 2, 1)
self.retranslateUi(Dialog)
self.stackedWidget.setCurrentIndex(0)
self.buttonBox.accepted.connect(Dialog.accept) # type: ignore
self.buttonBox.rejected.connect(Dialog.reject) # type: ignore
QtCore.QMetaObject.connectSlotsByName(Dialog)
@ -106,8 +129,7 @@ class Ui_Dialog(object):
def retranslateUi(self, Dialog):
_translate = QtCore.QCoreApplication.translate
Dialog.setWindowTitle(_translate("Dialog", "SImba, everything the light touches is our kingdom"))
self.label.setText(_translate("Dialog", "<html><head/><body><p><span style=\" font-weight:600;\">Tg values:</span></p></body></html>"))
self.label_4.setText(_translate("Dialog", "<html><head/><body><p><span style=\" font-weight:600;\">TNMH parameter:</span></p></body></html>"))
self.checkBox.setText(_translate("Dialog", "Export lines"))
self.pushButton.setText(_translate("Dialog", "Calculate Tg"))
self.pushButton_2.setText(_translate("Dialog", "Fictive Cp"))
self.label_2.setText(_translate("Dialog", "Tg for TNMH"))
@ -117,4 +139,8 @@ class Ui_Dialog(object):
self.comboBox.setItemText(3, _translate("Dialog", "End"))
self.comboBox.setItemText(4, _translate("Dialog", "Inflection"))
self.pushButton_3.setText(_translate("Dialog", "Fit TNMH model"))
self.label.setText(_translate("Dialog", "<html><head/><body><p><span style=\" font-weight:600;\">Tg values:</span></p></body></html>"))
self.label_3.setText(_translate("Dialog", "TextLabel"))
self.label_4.setText(_translate("Dialog", "<html><head/><body><p><span style=\" font-weight:600;\">TNMH parameter:</span></p></body></html>"))
from ..lib.forms import CheckCombobox
from pyqtgraph import PlotWidget

60
src/gui_qt/dsc/glass_dialog.py
View File

@ -1,8 +1,9 @@
from itertools import cycle
from numpy import array, nan
from pyqtgraph import mkPen, mkBrush
from numpy import array, nan, isnan
from pyqtgraph import mkPen, mkBrush, LegendItem
from nmreval.dsc.hodge import tau_hodge
from nmreval.lib.colors import Tab10
from ..Qt import QtWidgets, QtCore
from .._py.tnmh_dialog import Ui_Dialog
@ -23,6 +24,16 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
self._plots = {}
self._tg_value = {}
self._fit = {}
self._hodge_plots = {
'onset': PlotItem(x=[], y=[], pen=None, symbol='o', symbolBrush=Tab10.TabBlue.rgb(), name='Onset'),
'mid': PlotItem(x=[], y=[], pen=None, symbol='s', symbolBrush=Tab10.TabOrange.rgb(), name='Midpoint'),
'end': PlotItem(x=[], y=[], pen=None, symbol='t', symbolBrush=Tab10.TabGreen.rgb(), name='End'),
'inflection': PlotItem(x=[], y=[], pen=None, symbol='d', symbolBrush=Tab10.TabRed.rgb(), name='Inflection'),
'fictive': PlotItem(x=[], y=[], pen=None, symbol='t1', symbolBrush=Tab10.TabPurple.rgb(), name='Fictive'),
# 'TNMH': PlotItem(x=[], y=[], pen=None, symbol='star', symbolBrush=Tab10.TabPurple.rgb(), name='TNMH'),
}
for plt in self._hodge_plots.values():
self.graphicsView_3.addItem(plt)
self.limits = RegionItem(), RegionItem()
for lim in self.limits:
@ -33,6 +44,9 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
self.listWidget.itemClicked.connect(self.show_tg_values)
for x in 'abc':
self.comboBox_2.addItem(x)
def __call__(self):
self.clear()
self.add_sets()
@ -44,6 +58,9 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
self.graphicsView.removeItem(val)
self.graphicsView_2.removeItem(val)
for plt in self._hodge_plots.values():
plt.setData(x=[], y=[])
self._dsc = {}
self._plots = {}
self._tg_value = {}
@ -98,8 +115,8 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
if self._limitless:
dist = max_x - min_x
self.limits[0].setRegion((min_x, min_x+0.1*dist))
self.limits[1].setRegion((max_x-0.1*dist, max_x))
self.limits[0].setRegion((min_x, min_x+min(0.1*dist, 5)))
self.limits[1].setRegion((max_x-min(5, 0.1*dist), max_x))
self._limitless = False
@QtCore.pyqtSlot(name='on_pushButton_clicked')
@ -124,7 +141,7 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
self._tg_value[key].update(tg_results)
plot[1].setData(array(list(self._tg_value[key].values())))
self._update_tg_plots()
def show_tg_values(self, item):
values = self._tg_value.get(item.data(QtCore.Qt.UserRole))
@ -137,6 +154,18 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
if fit is not None:
self.label_5.setText(fit._parameter_string())
def _update_tg_plots(self):
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
key = item.data(QtCore.Qt.UserRole)
plot = self._plots[key]
data, _ = self._dsc[key]
plot[1].setData(array(list(self._tg_value[key].values())))
self.hodge()
@QtCore.pyqtSlot(QtWidgets.QListWidgetItem, name='on_listWidget_itemChanged')
def change_visibility(self, item: QtWidgets.QListWidgetItem):
is_checked = bool(item.checkState())
@ -166,7 +195,7 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
self._tg_value[key]['fictive'] = (tg, 0)
plot[1].setData(array(list(self._tg_value[key].values())))
self._update_tg_plots()
@QtCore.pyqtSlot(name='on_pushButton_3_clicked')
def make_tnmh(self):
@ -190,6 +219,25 @@ class TgCalculator(QtWidgets.QDialog, Ui_Dialog):
self._fit[key] = res
plot[-1].setData(res.x, res.y)
def hodge(self):
for tg_type, plot in self._hodge_plots.items():
m = []
for idx in range(self.listWidget.count()):
item = self.listWidget.item(idx)
key = item.data(QtCore.Qt.UserRole)
data, _ = self._dsc[key]
tg_value = self._tg_value[key][tg_type][0]
if isnan(tg_value):
continue
m.append([tg_value, data.value])
if len(m) > 1:
r = tau_hodge(*array(m).T)
plot.setData(r.x, r.y)
def close(self) -> bool:
self.clear()
return super().close()

2
src/gui_qt/lib/delegates.py
View File

@ -30,7 +30,7 @@ class PropertyDelegate(QtWidgets.QStyledItemDelegate):
rect = options.rect
rect.adjust(5, 0, -5, 0)
mid = (rect.bottom()+rect.top()) / 2
mid = int((rect.bottom()+rect.top()) / 2)
painter.drawLine(rect.left(), mid, rect.right(), mid)
painter.restore()

20
src/gui_qt/lib/forms.py
View File

@ -1,3 +1,5 @@
from typing import Any
from numpy import inf
from nmreval.utils.text import convert
@ -404,3 +406,21 @@ class ElideComboBox(QtWidgets.QComboBox):
opt.currentText = painter.fontMetrics().elidedText(opt.currentText, QtCore.Qt.ElideRight, rect.width())
painter.drawControl(QtWidgets.QStyle.CE_ComboBoxLabel, opt)
class CheckCombobox(QtWidgets.QComboBox):
def addItem(self, text: str, userData: Any=None) -> None:
super().addItem(text, userData=userData)
item = self.model().item(self.count()-1)
item.setFlags(QtCore.Qt.ItemIsEnabled | QtCore.Qt.ItemIsUserCheckable)
item.setCheckState(QtCore.Qt.Checked)
def addItems(self, text):
for text_i in text:
self.addItem(text_i)
def isChecked(self, idx: int) -> bool:
return bool(self.model().item(idx).checkState())