dsc (#55)
closes #53 Co-authored-by: Dominik Demuth <dominik.demuth@physik.tu-darmstadt.de> Reviewed-on: #55
This commit is contained in:
parent
7671a56b6f
commit
d8cc99cea4
@ -1,29 +1,113 @@
|
||||
# -*- coding: utf-8 -*-
|
||||
|
||||
# Form implementation generated from reading ui file 'resources/_ui/dscfile_dialog.ui'
|
||||
# Form implementation generated from reading ui file 'src/resources/_ui/dscfile_dialog.ui'
|
||||
#
|
||||
# Created by: PyQt5 UI code generator 5.9.2
|
||||
# Created by: PyQt5 UI code generator 5.15.2
|
||||
#
|
||||
# WARNING! All changes made in this file will be lost!
|
||||
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
|
||||
# run again. Do not edit this file unless you know what you are doing.
|
||||
|
||||
|
||||
from PyQt5 import QtCore, QtGui, QtWidgets
|
||||
|
||||
|
||||
class Ui_Dialog(object):
|
||||
def setupUi(self, Dialog):
|
||||
Dialog.setObjectName("Dialog")
|
||||
Dialog.resize(962, 662)
|
||||
self.gridLayout_2 = QtWidgets.QGridLayout(Dialog)
|
||||
self.gridLayout_2.setObjectName("gridLayout_2")
|
||||
self.buttonBox = QtWidgets.QDialogButtonBox(Dialog)
|
||||
self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
|
||||
self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Apply|QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok|QtWidgets.QDialogButtonBox.Save)
|
||||
self.buttonBox.setObjectName("buttonBox")
|
||||
self.gridLayout_2.addWidget(self.buttonBox, 1, 1, 1, 1)
|
||||
self.gridLayout_4 = QtWidgets.QGridLayout()
|
||||
self.gridLayout_4.setContentsMargins(-1, 0, 0, -1)
|
||||
self.gridLayout_4.setSpacing(3)
|
||||
self.gridLayout_4.setObjectName("gridLayout_4")
|
||||
self.cp_checkBox = QtWidgets.QCheckBox(Dialog)
|
||||
Dialog.resize(1341, 799)
|
||||
self.verticalLayout_5 = QtWidgets.QVBoxLayout(Dialog)
|
||||
self.verticalLayout_5.setObjectName("verticalLayout_5")
|
||||
self.splitter = QtWidgets.QSplitter(Dialog)
|
||||
self.splitter.setOrientation(QtCore.Qt.Horizontal)
|
||||
self.splitter.setObjectName("splitter")
|
||||
self.verticalLayoutWidget = QtWidgets.QWidget(self.splitter)
|
||||
self.verticalLayoutWidget.setObjectName("verticalLayoutWidget")
|
||||
self.verticalLayout_4 = QtWidgets.QVBoxLayout(self.verticalLayoutWidget)
|
||||
self.verticalLayout_4.setContentsMargins(6, 6, 6, 6)
|
||||
self.verticalLayout_4.setObjectName("verticalLayout_4")
|
||||
self.groupBox = QtWidgets.QGroupBox(self.verticalLayoutWidget)
|
||||
self.groupBox.setFlat(False)
|
||||
self.groupBox.setObjectName("groupBox")
|
||||
self.verticalLayout = QtWidgets.QVBoxLayout(self.groupBox)
|
||||
self.verticalLayout.setContentsMargins(6, 6, 6, 6)
|
||||
self.verticalLayout.setObjectName("verticalLayout")
|
||||
self.step_listWidget = QtWidgets.QListWidget(self.groupBox)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Minimum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
sizePolicy.setHeightForWidth(self.step_listWidget.sizePolicy().hasHeightForWidth())
|
||||
self.step_listWidget.setSizePolicy(sizePolicy)
|
||||
self.step_listWidget.setMinimumSize(QtCore.QSize(0, 0))
|
||||
self.step_listWidget.setObjectName("step_listWidget")
|
||||
self.verticalLayout.addWidget(self.step_listWidget)
|
||||
self.verticalLayout_4.addWidget(self.groupBox)
|
||||
self.groupBox_2 = QtWidgets.QGroupBox(self.verticalLayoutWidget)
|
||||
self.groupBox_2.setObjectName("groupBox_2")
|
||||
self.verticalLayout_2 = QtWidgets.QVBoxLayout(self.groupBox_2)
|
||||
self.verticalLayout_2.setContentsMargins(6, 6, 6, 6)
|
||||
self.verticalLayout_2.setObjectName("verticalLayout_2")
|
||||
self.groupBox_4 = QtWidgets.QGroupBox(self.groupBox_2)
|
||||
self.groupBox_4.setObjectName("groupBox_4")
|
||||
self.verticalLayout_6 = QtWidgets.QVBoxLayout(self.groupBox_4)
|
||||
self.verticalLayout_6.setContentsMargins(6, 6, 6, 6)
|
||||
self.verticalLayout_6.setObjectName("verticalLayout_6")
|
||||
self.empty_label = QtWidgets.QLabel(self.groupBox_4)
|
||||
self.empty_label.setObjectName("empty_label")
|
||||
self.verticalLayout_6.addWidget(self.empty_label)
|
||||
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
|
||||
self.horizontalLayout_2.setSpacing(3)
|
||||
self.horizontalLayout_2.setObjectName("horizontalLayout_2")
|
||||
self.loadempty_button = QtWidgets.QPushButton(self.groupBox_4)
|
||||
self.loadempty_button.setObjectName("loadempty_button")
|
||||
self.horizontalLayout_2.addWidget(self.loadempty_button)
|
||||
self.delempty_button = QtWidgets.QPushButton(self.groupBox_4)
|
||||
self.delempty_button.setObjectName("delempty_button")
|
||||
self.horizontalLayout_2.addWidget(self.delempty_button)
|
||||
self.verticalLayout_6.addLayout(self.horizontalLayout_2)
|
||||
self.verticalLayout_2.addWidget(self.groupBox_4)
|
||||
self.groupBox_5 = QtWidgets.QGroupBox(self.groupBox_2)
|
||||
self.groupBox_5.setObjectName("groupBox_5")
|
||||
self.verticalLayout_7 = QtWidgets.QVBoxLayout(self.groupBox_5)
|
||||
self.verticalLayout_7.setContentsMargins(6, 6, 6, 6)
|
||||
self.verticalLayout_7.setSpacing(3)
|
||||
self.verticalLayout_7.setObjectName("verticalLayout_7")
|
||||
self.none_radioButton = QtWidgets.QRadioButton(self.groupBox_5)
|
||||
self.none_radioButton.setObjectName("none_radioButton")
|
||||
self.buttonGroup = QtWidgets.QButtonGroup(Dialog)
|
||||
self.buttonGroup.setObjectName("buttonGroup")
|
||||
self.buttonGroup.addButton(self.none_radioButton)
|
||||
self.verticalLayout_7.addWidget(self.none_radioButton)
|
||||
self.isotherm_radioButton = QtWidgets.QRadioButton(self.groupBox_5)
|
||||
self.isotherm_radioButton.setChecked(True)
|
||||
self.isotherm_radioButton.setObjectName("isotherm_radioButton")
|
||||
self.buttonGroup.addButton(self.isotherm_radioButton)
|
||||
self.verticalLayout_7.addWidget(self.isotherm_radioButton)
|
||||
self.slope_radioButton = QtWidgets.QRadioButton(self.groupBox_5)
|
||||
self.slope_radioButton.setObjectName("slope_radioButton")
|
||||
self.buttonGroup.addButton(self.slope_radioButton)
|
||||
self.verticalLayout_7.addWidget(self.slope_radioButton)
|
||||
self.widget = QtWidgets.QWidget(self.groupBox_5)
|
||||
self.widget.setMinimumSize(QtCore.QSize(0, 33))
|
||||
self.widget.setObjectName("widget")
|
||||
self.horizontalLayout_3 = QtWidgets.QHBoxLayout(self.widget)
|
||||
self.horizontalLayout_3.setContentsMargins(3, 3, 3, 3)
|
||||
self.horizontalLayout_3.setObjectName("horizontalLayout_3")
|
||||
self.limit1_lineedit = QtWidgets.QLineEdit(self.widget)
|
||||
self.limit1_lineedit.setObjectName("limit1_lineedit")
|
||||
self.horizontalLayout_3.addWidget(self.limit1_lineedit)
|
||||
self.limit2_lineedit = QtWidgets.QLineEdit(self.widget)
|
||||
self.limit2_lineedit.setText("")
|
||||
self.limit2_lineedit.setObjectName("limit2_lineedit")
|
||||
self.horizontalLayout_3.addWidget(self.limit2_lineedit)
|
||||
self.verticalLayout_7.addWidget(self.widget)
|
||||
self.verticalLayout_2.addWidget(self.groupBox_5)
|
||||
self.verticalLayout_4.addWidget(self.groupBox_2)
|
||||
self.groupBox_3 = QtWidgets.QGroupBox(self.verticalLayoutWidget)
|
||||
self.groupBox_3.setObjectName("groupBox_3")
|
||||
self.verticalLayout_3 = QtWidgets.QVBoxLayout(self.groupBox_3)
|
||||
self.verticalLayout_3.setContentsMargins(6, 6, 6, 6)
|
||||
self.verticalLayout_3.setObjectName("verticalLayout_3")
|
||||
self.cp_checkBox = QtWidgets.QCheckBox(self.groupBox_3)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.MinimumExpanding)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -31,36 +115,8 @@ class Ui_Dialog(object):
|
||||
self.cp_checkBox.setSizePolicy(sizePolicy)
|
||||
self.cp_checkBox.setChecked(True)
|
||||
self.cp_checkBox.setObjectName("cp_checkBox")
|
||||
self.gridLayout_4.addWidget(self.cp_checkBox, 11, 0, 1, 4)
|
||||
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
|
||||
self.horizontalLayout_2.setSpacing(3)
|
||||
self.horizontalLayout_2.setObjectName("horizontalLayout_2")
|
||||
self.loadempty_button = QtWidgets.QPushButton(Dialog)
|
||||
self.loadempty_button.setObjectName("loadempty_button")
|
||||
self.horizontalLayout_2.addWidget(self.loadempty_button)
|
||||
self.delempty_button = QtWidgets.QPushButton(Dialog)
|
||||
self.delempty_button.setObjectName("delempty_button")
|
||||
self.horizontalLayout_2.addWidget(self.delempty_button)
|
||||
self.gridLayout_4.addLayout(self.horizontalLayout_2, 5, 0, 1, 4)
|
||||
spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
|
||||
self.gridLayout_4.addItem(spacerItem, 12, 0, 1, 1)
|
||||
self.isotherm_radioButton = QtWidgets.QRadioButton(Dialog)
|
||||
self.isotherm_radioButton.setChecked(True)
|
||||
self.isotherm_radioButton.setObjectName("isotherm_radioButton")
|
||||
self.buttonGroup = QtWidgets.QButtonGroup(Dialog)
|
||||
self.buttonGroup.setObjectName("buttonGroup")
|
||||
self.buttonGroup.addButton(self.isotherm_radioButton)
|
||||
self.gridLayout_4.addWidget(self.isotherm_radioButton, 6, 1, 1, 1)
|
||||
self.label_4 = QtWidgets.QLabel(Dialog)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
sizePolicy.setHeightForWidth(self.label_4.sizePolicy().hasHeightForWidth())
|
||||
self.label_4.setSizePolicy(sizePolicy)
|
||||
self.label_4.setStyleSheet("font-weight: bold")
|
||||
self.label_4.setObjectName("label_4")
|
||||
self.gridLayout_4.addWidget(self.label_4, 0, 0, 1, 4)
|
||||
self.reference_tableWidget = QtWidgets.QTableWidget(Dialog)
|
||||
self.verticalLayout_3.addWidget(self.cp_checkBox)
|
||||
self.reference_tableWidget = QtWidgets.QTableWidget(self.groupBox_3)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Maximum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -75,57 +131,11 @@ class Ui_Dialog(object):
|
||||
self.reference_tableWidget.horizontalHeader().setVisible(False)
|
||||
self.reference_tableWidget.horizontalHeader().setStretchLastSection(True)
|
||||
self.reference_tableWidget.verticalHeader().setVisible(False)
|
||||
self.gridLayout_4.addWidget(self.reference_tableWidget, 9, 0, 1, 4)
|
||||
self.step_listWidget = QtWidgets.QListWidget(Dialog)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Minimum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
sizePolicy.setHeightForWidth(self.step_listWidget.sizePolicy().hasHeightForWidth())
|
||||
self.step_listWidget.setSizePolicy(sizePolicy)
|
||||
self.step_listWidget.setMinimumSize(QtCore.QSize(0, 0))
|
||||
self.step_listWidget.setObjectName("step_listWidget")
|
||||
self.gridLayout_4.addWidget(self.step_listWidget, 1, 0, 1, 4)
|
||||
self.label = QtWidgets.QLabel(Dialog)
|
||||
self.label.setObjectName("label")
|
||||
self.gridLayout_4.addWidget(self.label, 6, 0, 1, 1)
|
||||
self.slope_radioButton = QtWidgets.QRadioButton(Dialog)
|
||||
self.slope_radioButton.setObjectName("slope_radioButton")
|
||||
self.buttonGroup.addButton(self.slope_radioButton)
|
||||
self.gridLayout_4.addWidget(self.slope_radioButton, 6, 2, 1, 1)
|
||||
self.empty_label = QtWidgets.QLabel(Dialog)
|
||||
self.empty_label.setObjectName("empty_label")
|
||||
self.gridLayout_4.addWidget(self.empty_label, 4, 0, 1, 4)
|
||||
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.setStyleSheet("font-weight: bold")
|
||||
self.label_3.setObjectName("label_3")
|
||||
self.gridLayout_4.addWidget(self.label_3, 8, 0, 1, 4)
|
||||
self.label_2 = QtWidgets.QLabel(Dialog)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
sizePolicy.setHeightForWidth(self.label_2.sizePolicy().hasHeightForWidth())
|
||||
self.label_2.setSizePolicy(sizePolicy)
|
||||
self.label_2.setStyleSheet("font-weight: bold")
|
||||
self.label_2.setObjectName("label_2")
|
||||
self.gridLayout_4.addWidget(self.label_2, 3, 0, 1, 4)
|
||||
self.line = QtWidgets.QFrame(Dialog)
|
||||
self.line.setFrameShape(QtWidgets.QFrame.HLine)
|
||||
self.line.setFrameShadow(QtWidgets.QFrame.Sunken)
|
||||
self.line.setObjectName("line")
|
||||
self.gridLayout_4.addWidget(self.line, 7, 0, 1, 4)
|
||||
self.none_radioButton = QtWidgets.QRadioButton(Dialog)
|
||||
self.none_radioButton.setObjectName("none_radioButton")
|
||||
self.buttonGroup.addButton(self.none_radioButton)
|
||||
self.gridLayout_4.addWidget(self.none_radioButton, 6, 3, 1, 1)
|
||||
self.verticalLayout_3.addWidget(self.reference_tableWidget)
|
||||
self.horizontalLayout = QtWidgets.QHBoxLayout()
|
||||
self.horizontalLayout.setSpacing(3)
|
||||
self.horizontalLayout.setObjectName("horizontalLayout")
|
||||
self.ref_add_pushButton = QtWidgets.QPushButton(Dialog)
|
||||
self.ref_add_pushButton = QtWidgets.QPushButton(self.groupBox_3)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Maximum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -133,7 +143,7 @@ class Ui_Dialog(object):
|
||||
self.ref_add_pushButton.setSizePolicy(sizePolicy)
|
||||
self.ref_add_pushButton.setObjectName("ref_add_pushButton")
|
||||
self.horizontalLayout.addWidget(self.ref_add_pushButton)
|
||||
self.ref_remove_pushButton = QtWidgets.QPushButton(Dialog)
|
||||
self.ref_remove_pushButton = QtWidgets.QPushButton(self.groupBox_3)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Maximum)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -141,16 +151,22 @@ class Ui_Dialog(object):
|
||||
self.ref_remove_pushButton.setSizePolicy(sizePolicy)
|
||||
self.ref_remove_pushButton.setObjectName("ref_remove_pushButton")
|
||||
self.horizontalLayout.addWidget(self.ref_remove_pushButton)
|
||||
self.gridLayout_4.addLayout(self.horizontalLayout, 10, 0, 1, 4)
|
||||
self.line_2 = QtWidgets.QFrame(Dialog)
|
||||
self.line_2.setFrameShape(QtWidgets.QFrame.HLine)
|
||||
self.line_2.setFrameShadow(QtWidgets.QFrame.Sunken)
|
||||
self.line_2.setObjectName("line_2")
|
||||
self.gridLayout_4.addWidget(self.line_2, 2, 0, 1, 4)
|
||||
self.gridLayout_2.addLayout(self.gridLayout_4, 0, 0, 1, 1)
|
||||
self.gridLayout = QtWidgets.QGridLayout()
|
||||
self.verticalLayout_3.addLayout(self.horizontalLayout)
|
||||
self.verticalLayout_4.addWidget(self.groupBox_3)
|
||||
spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
|
||||
self.verticalLayout_4.addItem(spacerItem)
|
||||
self.buttonBox = QtWidgets.QDialogButtonBox(self.verticalLayoutWidget)
|
||||
self.buttonBox.setOrientation(QtCore.Qt.Horizontal)
|
||||
self.buttonBox.setStandardButtons(QtWidgets.QDialogButtonBox.Apply|QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok|QtWidgets.QDialogButtonBox.Save)
|
||||
self.buttonBox.setCenterButtons(True)
|
||||
self.buttonBox.setObjectName("buttonBox")
|
||||
self.verticalLayout_4.addWidget(self.buttonBox)
|
||||
self.widget1 = QtWidgets.QWidget(self.splitter)
|
||||
self.widget1.setObjectName("widget1")
|
||||
self.gridLayout = QtWidgets.QGridLayout(self.widget1)
|
||||
self.gridLayout.setContentsMargins(0, 0, 0, 0)
|
||||
self.gridLayout.setObjectName("gridLayout")
|
||||
self.raw_graph = PlotWidget(Dialog)
|
||||
self.raw_graph = PlotWidget(self.widget1)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.MinimumExpanding)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -159,7 +175,7 @@ class Ui_Dialog(object):
|
||||
self.raw_graph.setMinimumSize(QtCore.QSize(300, 200))
|
||||
self.raw_graph.setObjectName("raw_graph")
|
||||
self.gridLayout.addWidget(self.raw_graph, 0, 0, 1, 1)
|
||||
self.calib_graph = PlotWidget(Dialog)
|
||||
self.calib_graph = PlotWidget(self.widget1)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.MinimumExpanding)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -168,7 +184,7 @@ class Ui_Dialog(object):
|
||||
self.calib_graph.setMinimumSize(QtCore.QSize(300, 200))
|
||||
self.calib_graph.setObjectName("calib_graph")
|
||||
self.gridLayout.addWidget(self.calib_graph, 1, 0, 1, 1)
|
||||
self.baseline_graph = PlotWidget(Dialog)
|
||||
self.baseline_graph = PlotWidget(self.widget1)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.MinimumExpanding)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -177,7 +193,7 @@ class Ui_Dialog(object):
|
||||
self.baseline_graph.setMinimumSize(QtCore.QSize(300, 200))
|
||||
self.baseline_graph.setObjectName("baseline_graph")
|
||||
self.gridLayout.addWidget(self.baseline_graph, 0, 1, 1, 1)
|
||||
self.end_graph = PlotWidget(Dialog)
|
||||
self.end_graph = PlotWidget(self.widget1)
|
||||
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.MinimumExpanding)
|
||||
sizePolicy.setHorizontalStretch(0)
|
||||
sizePolicy.setVerticalStretch(0)
|
||||
@ -186,7 +202,7 @@ class Ui_Dialog(object):
|
||||
self.end_graph.setMinimumSize(QtCore.QSize(0, 0))
|
||||
self.end_graph.setObjectName("end_graph")
|
||||
self.gridLayout.addWidget(self.end_graph, 1, 1, 1, 1)
|
||||
self.gridLayout_2.addLayout(self.gridLayout, 0, 1, 1, 1)
|
||||
self.verticalLayout_5.addWidget(self.splitter)
|
||||
|
||||
self.retranslateUi(Dialog)
|
||||
self.buttonBox.accepted.connect(Dialog.accept)
|
||||
@ -196,18 +212,20 @@ class Ui_Dialog(object):
|
||||
def retranslateUi(self, Dialog):
|
||||
_translate = QtCore.QCoreApplication.translate
|
||||
Dialog.setWindowTitle(_translate("Dialog", "Read DSC file"))
|
||||
self.cp_checkBox.setText(_translate("Dialog", "Convert to heat capacity"))
|
||||
self.groupBox.setTitle(_translate("Dialog", "Detected steps"))
|
||||
self.groupBox_2.setTitle(_translate("Dialog", "Baseline corrections"))
|
||||
self.groupBox_4.setTitle(_translate("Dialog", "Empty measurement"))
|
||||
self.empty_label.setText(_translate("Dialog", "No emtpy measurement"))
|
||||
self.loadempty_button.setText(_translate("Dialog", "Load empty"))
|
||||
self.delempty_button.setText(_translate("Dialog", "Remove empty"))
|
||||
self.isotherm_radioButton.setText(_translate("Dialog", "Isotherms"))
|
||||
self.label_4.setText(_translate("Dialog", "Detected steps"))
|
||||
self.label.setText(_translate("Dialog", "Slope"))
|
||||
self.slope_radioButton.setText(_translate("Dialog", "Initial slope"))
|
||||
self.empty_label.setText(_translate("Dialog", "Empty measurement"))
|
||||
self.label_3.setText(_translate("Dialog", "Calibration"))
|
||||
self.label_2.setText(_translate("Dialog", "Baseline"))
|
||||
self.groupBox_5.setTitle(_translate("Dialog", "Slope correction"))
|
||||
self.none_radioButton.setText(_translate("Dialog", "None"))
|
||||
self.isotherm_radioButton.setText(_translate("Dialog", "Isotherms"))
|
||||
self.slope_radioButton.setText(_translate("Dialog", "Initial slope"))
|
||||
self.limit1_lineedit.setPlaceholderText(_translate("Dialog", "start (in min)"))
|
||||
self.limit2_lineedit.setPlaceholderText(_translate("Dialog", "stop (in min)"))
|
||||
self.groupBox_3.setTitle(_translate("Dialog", "References"))
|
||||
self.cp_checkBox.setText(_translate("Dialog", "Use reference to convert to heat capacity"))
|
||||
self.ref_add_pushButton.setText(_translate("Dialog", "Add reference"))
|
||||
self.ref_remove_pushButton.setText(_translate("Dialog", "Remove reference"))
|
||||
|
||||
from pyqtgraph import PlotWidget
|
||||
|
@ -2,7 +2,7 @@
|
||||
|
||||
# Form implementation generated from reading ui file 'src/resources/_ui/eval_expr_dialog.ui'
|
||||
#
|
||||
# Created by: PyQt5 UI code generator 5.15.9
|
||||
# Created by: PyQt5 UI code generator 5.15.2
|
||||
#
|
||||
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
|
||||
# run again. Do not edit this file unless you know what you are doing.
|
||||
|
@ -1,10 +1,11 @@
|
||||
# -*- coding: utf-8 -*-
|
||||
|
||||
# Form implementation generated from reading ui file 'resources/_ui/fitdialog.ui'
|
||||
# Form implementation generated from reading ui file 'src/resources/_ui/fitdialog.ui'
|
||||
#
|
||||
# Created by: PyQt5 UI code generator 5.12.3
|
||||
# Created by: PyQt5 UI code generator 5.15.2
|
||||
#
|
||||
# WARNING! All changes made in this file will be lost!
|
||||
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
|
||||
# run again. Do not edit this file unless you know what you are doing.
|
||||
|
||||
|
||||
from PyQt5 import QtCore, QtGui, QtWidgets
|
||||
|
@ -1,8 +1,8 @@
|
||||
# -*- coding: utf-8 -*-
|
||||
|
||||
# Form implementation generated from reading ui file '/autohome/dominik/nmreval-gitea/src/resources/_ui/fitresult.ui'
|
||||
# Form implementation generated from reading ui file 'src/resources/_ui/fitresult.ui'
|
||||
#
|
||||
# Created by: PyQt5 UI code generator 5.15.7
|
||||
# Created by: PyQt5 UI code generator 5.15.2
|
||||
#
|
||||
# WARNING: Any manual changes made to this file will be lost when pyuic5 is
|
||||
# run again. Do not edit this file unless you know what you are doing.
|
||||
|
@ -97,7 +97,7 @@ class QDSCReader(QtWidgets.QDialog, Ui_Dialog):
|
||||
|
||||
if empty:
|
||||
self.empty = self.calibrator.set_measurement(empty, mode='empty')
|
||||
self.empty_label.setText(str(self.empty.fname.name))
|
||||
self.empty_label.setText('~/' + str(self.empty.fname.relative_to(Path.home())))
|
||||
|
||||
self.update_plots()
|
||||
|
||||
@ -158,20 +158,28 @@ class QDSCReader(QtWidgets.QDialog, Ui_Dialog):
|
||||
self.sample_idx = None
|
||||
self.clear_plots()
|
||||
|
||||
def get_data(self, ):
|
||||
def get_data(self):
|
||||
if self.sample_idx is None:
|
||||
return
|
||||
|
||||
rate = self.current_run[0]
|
||||
slope_type = {self.none_radioButton: None,
|
||||
self.isotherm_radioButton: 'iso',
|
||||
self.slope_radioButton: 'curve'}[self.buttonGroup.checkedButton()]
|
||||
slope_type = {
|
||||
self.none_radioButton: None,
|
||||
self.isotherm_radioButton: 'iso',
|
||||
self.slope_radioButton: 'curve',
|
||||
}[self.buttonGroup.checkedButton()]
|
||||
|
||||
limit = None
|
||||
if slope_type == 'curve':
|
||||
try:
|
||||
limit = float(self.limit1_lineedit.text())*60, float(self.limit2_lineedit.text())*60
|
||||
except ValueError:
|
||||
limit = None
|
||||
|
||||
try:
|
||||
raw_sample, drift_value, sample_data, empty_data, slope = self.calibrator.get_data(self.sample_idx,
|
||||
slope=slope_type)
|
||||
raw_sample, drift_value, sample_data, empty_data, slope = self.calibrator.get_data(self.sample_idx, slope=slope_type, limits=limit)
|
||||
except ValueError as e:
|
||||
_msg = QtWidgets.QMessageBox.warning(self, 'No rate found', e.args[0])
|
||||
_msg = QtWidgets.QMessageBox.warning(self, f'Data collection with error', e.args[0])
|
||||
return
|
||||
|
||||
self.calibrator.ref_list = []
|
||||
@ -194,6 +202,8 @@ class QDSCReader(QtWidgets.QDialog, Ui_Dialog):
|
||||
|
||||
@QtCore.pyqtSlot(QtWidgets.QAbstractButton, name='on_buttonGroup_buttonClicked')
|
||||
@QtCore.pyqtSlot(int, name='on_cp_checkBox_stateChanged')
|
||||
@QtCore.pyqtSlot(str, name='on_limit1_lineedit_textChanged')
|
||||
@QtCore.pyqtSlot(str, name='on_limit2_lineedit_textChanged')
|
||||
def update_plots(self, _=None):
|
||||
res = self.get_data()
|
||||
if res is None:
|
||||
@ -254,7 +264,7 @@ class QDSCReader(QtWidgets.QDialog, Ui_Dialog):
|
||||
def button_clicked(self, bttn: QtWidgets.QAbstractButton):
|
||||
bttn_value = self.buttonBox.standardButton(bttn)
|
||||
if bttn_value in (self.buttonBox.Ok, self.buttonBox.Apply, self.buttonBox.Save):
|
||||
self.export_data(filesave=bttn_value==self.buttonBox.Save, close_after=bttn_value==self.buttonBox.Ok)
|
||||
self.export_data(filesave=bttn_value == self.buttonBox.Save, close_after=bttn_value == self.buttonBox.Ok)
|
||||
else:
|
||||
super().close()
|
||||
|
||||
|
@ -911,7 +911,7 @@ class UpperManagement(QtCore.QObject):
|
||||
self.data[new_id[0]].data = new_data
|
||||
except Exception as e:
|
||||
failures.append((data_i, e))
|
||||
print(str(data_i) + ' failed with Exception: ' + ''.join(e.args))
|
||||
logger.warning(str(data_i) + ' failed with Exception: ' + ''.join(e.args))
|
||||
continue
|
||||
|
||||
if overwrite:
|
||||
@ -946,9 +946,9 @@ class UpperManagement(QtCore.QObject):
|
||||
self.newData.emit([s_id], graph)
|
||||
|
||||
except Exception as err:
|
||||
print('Creation failed with error: ' + ', '.join(err.args))
|
||||
logger.exception('Creation failed with error: ' + ', '.join(err.args))
|
||||
err_msg = QtWidgets.QMessageBox(parent=self.sender())
|
||||
err_msg.setText('One or more errors occured during evaluation.')
|
||||
err_msg.setText('One or more errors occurred during evaluation.')
|
||||
err_msg.setDetailedText('Creation failed with error: ' + ', '.join(err.args))
|
||||
err_msg.exec()
|
||||
|
||||
|
@ -1,289 +0,0 @@
|
||||
import os
|
||||
import argparse
|
||||
import sys
|
||||
|
||||
import numpy as np
|
||||
import matplotlib.pyplot as plt
|
||||
import scipy.interpolate
|
||||
from scipy.integrate import simps
|
||||
|
||||
from ..io.dsc import DSCSample, Cyclohexane
|
||||
|
||||
|
||||
parser = argparse.ArgumentParser(description='Calibrate DSC data')
|
||||
parser.add_argument('sample', type=str, help='filename of DSC sample')
|
||||
parser.add_argument('empty', type=str, help='filename of empty pan')
|
||||
parser.add_argument('reference', help='filename of reference', type=str)
|
||||
parser.add_argument('--cooling', help='Show figure of found cooling rates', action='store_true')
|
||||
|
||||
|
||||
def evaluate(sample, empty, reference, ref_points=Cyclohexane, show_cooling=False):
|
||||
sample = DSCSample(sample)
|
||||
empty = DSCSample(empty)
|
||||
reference = DSCSample(reference)
|
||||
|
||||
if show_cooling:
|
||||
fig, ax = plt.subplots()
|
||||
print('\n')
|
||||
for k, v in sample.cooling.items():
|
||||
print('Plot run {} with cooling rate {} K/min'.format(k, v))
|
||||
c = sample.flow_data(v, mode='c')
|
||||
ax.plot(c[0], c[1], label=str(v)+' K/min')
|
||||
ax.set_xlabel('T / K')
|
||||
plt.legend()
|
||||
plt.show()
|
||||
|
||||
return
|
||||
|
||||
run_list = []
|
||||
if len(sample.heating) > 1:
|
||||
run = None
|
||||
print('\nMultiple heat rates found:')
|
||||
for k, v in sample.heating.items():
|
||||
print(' run {}: {} K/min'.format(k, v))
|
||||
while run not in sample.heating:
|
||||
# choose your own adventure!!!
|
||||
value = input('\nPlease select a run (press Enter for all heat rates): ')
|
||||
if value == '':
|
||||
run_list = list(sample.heating.keys())
|
||||
break
|
||||
else:
|
||||
run = int(value)
|
||||
run_list = [run]
|
||||
else:
|
||||
run_list = list(sample.heating.keys())
|
||||
|
||||
for run in run_list:
|
||||
rate = sample.heating[run]
|
||||
|
||||
print('\nProcessing heat rate {} K/min'.format(rate))
|
||||
|
||||
print('Load data of heating data')
|
||||
len_sample = sample.length(run)
|
||||
|
||||
# sanity checks
|
||||
try:
|
||||
reference_data = reference.flow_data(rate)
|
||||
except IndexError:
|
||||
print('ERROR: Reference measurement has no heat rate {} K/min'.format(rate))
|
||||
print('Stop evaluation')
|
||||
sys.exit()
|
||||
|
||||
try:
|
||||
run_baseline = empty.get_run(rate)
|
||||
except ValueError:
|
||||
print('ERROR: Empty measurement has no heat rate {} K/min'.format(rate))
|
||||
print('Stop evaluation')
|
||||
sys.exit()
|
||||
|
||||
len_baseline = empty.length(run_baseline)
|
||||
if len_baseline != len_sample:
|
||||
print('WARNING: measurements differ by {} points'.format(abs(len_baseline - len_sample)))
|
||||
# max_length = min(len_baseline, len_sample)
|
||||
|
||||
sample_data = sample.flow_data(rate, length=None)
|
||||
empty_data = empty.flow_data(rate, length=None)
|
||||
|
||||
# plot input data
|
||||
fig1, ax1 = plt.subplots(2, 3, **{'figsize': (10, 6)})
|
||||
ax1[0, 0].set_title('raw data')
|
||||
ax1[0, 0].set_xlabel('T / K')
|
||||
|
||||
ax1[0, 0].plot(sample_data[0], sample_data[1], 'k-', label='Sample')
|
||||
ax1[0, 0].plot(empty_data[0], empty_data[1], 'b-', label='Empty')
|
||||
ax1[0, 0].plot(reference_data[0], reference_data[1], 'r-', label='Reference')
|
||||
ax1[0, 0].legend()
|
||||
|
||||
print('Substract empty data\n')
|
||||
sample_baseline = sample_data.copy()
|
||||
empty_y = empty_data[1]
|
||||
if len_sample != len_baseline:
|
||||
with np.errstate(all='ignore'):
|
||||
empty_y = scipy.interpolate.interp1d(empty_data[0], empty_data[1],
|
||||
fill_value='extrapolate')(sample_data[0])
|
||||
sample_baseline[1] = sample_data[1] - empty_y
|
||||
|
||||
# plot baseline correction
|
||||
ax1[0, 1].set_title('baseline correction')
|
||||
ax1[0, 1].set_xlabel('T / K')
|
||||
|
||||
ax1[0, 1].plot(sample_data[0], sample_data[1], 'k--', label='Raw')
|
||||
ax1[0, 1].plot(sample_baseline[0], sample_baseline[1], 'k-', label='Baseline corrected')
|
||||
ax1[0, 1].plot(empty_data[0], empty_data[1], 'b-', label='Empty')
|
||||
ax1[0, 1].legend()
|
||||
|
||||
print('Load isothermal data around heat rate')
|
||||
mean_isotherms = []
|
||||
for offset, where, ls in [(-1, 'low', '-'), (1, 'high', '--')]:
|
||||
# read isotherms and baseline correct
|
||||
len_baseline = empty.length(run_baseline+offset)
|
||||
len_sample = sample.length(run+offset)
|
||||
if len_baseline != len_sample:
|
||||
print('WARNING: {} T isotherms differ by {} points'.format(where, abs(len_baseline-len_sample)))
|
||||
|
||||
max_length = min(len_baseline, len_sample)
|
||||
isotherm_sample = sample.isotherm_data(run_baseline+offset, length=max_length)
|
||||
isotherm_empty = empty.isotherm_data(run+offset, length=max_length)
|
||||
|
||||
isotherm_sample[1] -= isotherm_empty[1]
|
||||
|
||||
# get mean isotherm value
|
||||
m = np.polyfit(isotherm_sample[0, 200:-200], isotherm_sample[1, 200:-200], 0)[0]
|
||||
mean_isotherms.append(m)
|
||||
print('Calculated {} heat flow: {:.4} mW'.format(where, m))
|
||||
|
||||
ax1[0, 2].plot(isotherm_sample[0], isotherm_sample[1], 'k--')
|
||||
|
||||
# calculate slope from difference between isotherms
|
||||
slope = (mean_isotherms[1]-mean_isotherms[0]) / (sample_data[2, -1] - empty_data[2, 0])
|
||||
print('Heat flow slope from isotherms: {:.4} per minute'.format(slope*60))
|
||||
|
||||
# calculate mean slope of heat flow at points in the beginning
|
||||
slope_baseline = np.gradient(sample_baseline[1, int(4000/rate):int(9000/rate)],
|
||||
sample_baseline[2, 300]-sample_baseline[2, 299]).mean()
|
||||
print('Heat flow slope from initial heating: {:.4f} per minute\n'.format(slope_baseline*60))
|
||||
|
||||
drift_corrected = sample_baseline[1] - mean_isotherms[0] - (sample_baseline[2]-empty_data[2, 0])*slope
|
||||
drift_from_slope = sample_baseline[1] - mean_isotherms[0] - (sample_baseline[2]-empty_data[2, 0])*slope_baseline
|
||||
|
||||
# plot
|
||||
ax1[0, 2].axhline(mean_isotherms[0], linestyle=':')
|
||||
ax1[0, 2].axhline(mean_isotherms[1], linestyle=':')
|
||||
|
||||
ax1[0, 2].plot(sample_baseline[2], sample_baseline[1], 'k-', label='Baseline corrected')
|
||||
ax1[0, 2].plot(sample_baseline[2], drift_corrected, 'g-', label='Corrected (isotherm)')
|
||||
ax1[0, 2].plot(sample_baseline[2], drift_from_slope, 'b-', label='Corrected (heating)')
|
||||
|
||||
ax1[0, 2].plot(sample_baseline[2], mean_isotherms[0] + (sample_baseline[2]-empty_data[2, 0])*slope, 'g--')
|
||||
ax1[0, 2].plot(sample_baseline[2], mean_isotherms[0] + slope_baseline*(sample_baseline[2]-empty_data[2, 0]),
|
||||
'b--')
|
||||
|
||||
ax1[0, 2].plot(sample_baseline[2, int(4000/rate):int(9000/rate)],
|
||||
sample_baseline[1, int(4000/rate):int(9000/rate)], 'r--')
|
||||
|
||||
ax1[0, 2].set_title('time dependence')
|
||||
ax1[0, 2].set_xlabel('t / s')
|
||||
ax1[0, 2].legend()
|
||||
|
||||
melts = []
|
||||
for i, (ref_temp, enthalpy) in enumerate(ref_points.transitions):
|
||||
# region around reference peaks
|
||||
t_low_lim = ref_temp - 15
|
||||
t_high_lim = ref_temp + 15
|
||||
low_border = np.argmin(np.abs(reference_data[0]-t_low_lim))
|
||||
high_border = np.argmin(np.abs(reference_data[0]-t_high_lim))
|
||||
ref_zoom = reference_data[:, low_border:high_border]
|
||||
x_val = np.array([[ref_zoom[0, 0], 1],
|
||||
[ref_zoom[0, -1], 1]])
|
||||
y_val = np.array([ref_zoom[1, 0],
|
||||
ref_zoom[1, -1]])
|
||||
print('Baseline correct reference of %.2f transition' % ref_temp)
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
ref_zoom[1] -= (ref_zoom[0] * sol[0] + sol[1])
|
||||
peak_max = ref_zoom[:, np.argmax(ref_zoom[1])]
|
||||
integration_limit = np.argmin(abs(ref_zoom[0]-peak_max[0]+3)), np.argmin(abs(ref_zoom[0]-peak_max[0]-3))
|
||||
|
||||
# substract baseline around reference peaks
|
||||
x_val = np.array([[ref_zoom[0, integration_limit[0]], 1],
|
||||
[ref_zoom[0, integration_limit[1]], 1]])
|
||||
y_val = np.array([ref_zoom[1, integration_limit[0]],
|
||||
ref_zoom[1, integration_limit[1]]])
|
||||
|
||||
print('Baseline correct reference of %.2f transition' % ref_temp)
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
ref_zoom[1] -= (ref_zoom[0] * sol[0] + sol[1])
|
||||
|
||||
# calculate onset slope (use points at position of maximum gradient +/- 100/rate)
|
||||
ref_grad = np.gradient(ref_zoom[1])
|
||||
max_grad = np.argmax(ref_grad)
|
||||
|
||||
x_val = np.array([[ref_zoom[0, max_grad-int(100/rate)], 1],
|
||||
[ref_zoom[0, max_grad+int(100/rate)+1], 1]])
|
||||
y_val = np.array([ref_zoom[1, max_grad-int(100/rate)],
|
||||
ref_zoom[1, max_grad+int(100/rate)+1]])
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
onset = sol[0]*ref_zoom[0] + sol[1]
|
||||
|
||||
melts.append(-sol[1]/sol[0])
|
||||
|
||||
# plot
|
||||
ax1[1, i].set_title(f'reference: {ref_temp:.2f}')
|
||||
ax1[1, i].set_xlabel('T / K')
|
||||
|
||||
ax1[1, i].plot(reference_data[0], reference_data[1], 'r-')
|
||||
ax1[1, i].plot(ref_zoom[0, max_grad], ref_zoom[0, max_grad], 'kx')
|
||||
ax1[1, i].plot(ref_zoom[0], onset, 'k--')
|
||||
ax1[1, i].axhline(0, color='k', linestyle='--')
|
||||
|
||||
ax1[1, i].set_xlim(ref_zoom[0, integration_limit[0]], ref_zoom[0, integration_limit[1]])
|
||||
ax1[1, i].set_ylim(-max(ref_zoom[1])/10, max(ref_zoom[1])*1.1)
|
||||
|
||||
print('Onset of transition: %.2f K found at %.2f' % (ref_temp, melts[-1]))
|
||||
if enthalpy is not None:
|
||||
# integrate over low temperature peak to calibrate y axis
|
||||
# delta H in J/g: Integrate Peak over time and divide by weight
|
||||
area = 1e-3 * simps(ref_zoom[1, integration_limit[0]:integration_limit[1]],
|
||||
ref_zoom[2, integration_limit[0]:integration_limit[1]],
|
||||
even='avg')
|
||||
calib_y_axis = enthalpy / (area / reference.weight)
|
||||
print("Calibration factor of peak: %f\n" % calib_y_axis)
|
||||
|
||||
sample_baseline[1] *= calib_y_axis
|
||||
|
||||
fig1.delaxes(ax1[1, 2])
|
||||
fig1.tight_layout()
|
||||
|
||||
plt.show()
|
||||
|
||||
# give a choice how to compensate for long-time drift
|
||||
mode = None
|
||||
while mode not in ['i', 'h']:
|
||||
mode = input('\nUse [i]sotherms or initial [h]eating for long-time correction? (Default: i) ')
|
||||
if mode == '':
|
||||
mode = 'i'
|
||||
|
||||
if mode == 'h':
|
||||
print('\nCorrect slope from initial heating')
|
||||
sample_baseline[1] = drift_from_slope
|
||||
else:
|
||||
print('\nCorrect slope from isotherm')
|
||||
sample_baseline[1] = drift_corrected
|
||||
|
||||
# calibrate T axis
|
||||
print('\nCalibrate temperature')
|
||||
real_trans = np.array([temp for (temp, _) in ref_points.transitions])
|
||||
t_vals = np.array([[melts[0], 1],
|
||||
[melts[1], 1]])
|
||||
calibration_temp = np.linalg.solve(t_vals, real_trans)
|
||||
print('T_real = {:.4f} * T_meas {:+.4f}'.format(*calibration_temp))
|
||||
|
||||
sample_baseline[0] = calibration_temp[0] * sample_baseline[0] + calibration_temp[1]
|
||||
|
||||
print('Convert to capacity')
|
||||
cp = sample_baseline[1] * 60. / rate / sample.weight / 1000.
|
||||
if sample.weight is None:
|
||||
raise ValueError('No sample weight given')
|
||||
|
||||
# plot final results in separate figure
|
||||
fig2, ax2 = plt.subplots()
|
||||
ax2.set_title('{} K/min: Heat flow vs. heat capacity (close to cont.)'.format(rate))
|
||||
ax2.set_xlabel('Temperature / K')
|
||||
|
||||
ax2.plot(sample_baseline[0], sample_baseline[1], label='heat flow')
|
||||
ax2.plot(sample_baseline[0], cp, label='heat capacity')
|
||||
|
||||
plt.legend()
|
||||
plt.show()
|
||||
|
||||
outname = os.path.splitext(sample.name)[0] + '_' + str(rate) + 'K-min.dat'
|
||||
header = 'Made with version: {}\n'.format(__version__)
|
||||
header += 'T/K\tCp/J/(gK)\theat flow/mW'
|
||||
|
||||
print()
|
||||
print('Save to', outname)
|
||||
np.savetxt(outname, np.c_[sample_baseline[0], cp, sample_baseline[1]], header=header)
|
||||
|
||||
|
||||
if __name__ == '__main__':
|
||||
args = parser.parse_args()
|
||||
evaluate(args.sample, args.empty, args.reference, show_cooling=args.cooling)
|
@ -1,292 +0,0 @@
|
||||
from __future__ import annotations
|
||||
|
||||
__version__ = '0.1.2'
|
||||
|
||||
import os
|
||||
from argparse import ArgumentParser
|
||||
from pathlib import Path
|
||||
import sys
|
||||
import numpy as np
|
||||
import matplotlib.pyplot as plt
|
||||
from scipy.integrate import simps
|
||||
|
||||
from nmreval.io.dsc import DSCReader, Cyclohexane, ReferenceValue
|
||||
|
||||
parser = ArgumentParser(description='Calibrate DSC data')
|
||||
parser.add_argument('sample', type=str, help='filename of DSC sample')
|
||||
parser.add_argument('empty', type=str, help='filename of empty pan')
|
||||
parser.add_argument('reference', help='filename of reference', type=str)
|
||||
parser.add_argument('--cooling', help='Plot found cooling rates', action='store_true')
|
||||
|
||||
|
||||
def evaluate(sample: str|Path, empty: str|Path, reference: str|Path,
|
||||
ref_points: ReferenceValue = Cyclohexane, show_cooling: bool = False):
|
||||
|
||||
sample = DSCReader(sample)
|
||||
empty = DSCReader(empty)
|
||||
reference = DSCReader(reference)
|
||||
print(sample)
|
||||
|
||||
if show_cooling:
|
||||
fig, ax = plt.subplots()
|
||||
print('\n')
|
||||
for k, v in sample.cooling.items():
|
||||
print('Plot run {} with cooling rate {} K/min'.format(k, v))
|
||||
c = sample.flow_data(v, mode='c')
|
||||
ax.plot(c[0], c[1], label=str(v)+' K/min')
|
||||
ax.set_xlabel('T / K')
|
||||
plt.legend()
|
||||
plt.show()
|
||||
|
||||
return
|
||||
|
||||
run_list = []
|
||||
if len(sample.heating) > 1:
|
||||
run = None
|
||||
print('\nMultiple heat rates found:')
|
||||
for k, v in sample.heating.items():
|
||||
print(' run {}: {} K/min'.format(k, v))
|
||||
while run not in sample.heating:
|
||||
# choose your own adventure!!!
|
||||
value = input('\nPlease select a run (press Enter for all heat rates): ')
|
||||
if value == '':
|
||||
run_list = list(sample.heating.keys())
|
||||
break
|
||||
else:
|
||||
run = int(value)
|
||||
run_list = [run]
|
||||
else:
|
||||
run_list = list(sample.heating.keys())
|
||||
|
||||
for run in run_list:
|
||||
rate = sample.heating[run]
|
||||
|
||||
print('\nProcessing heat rate {} K/min'.format(rate))
|
||||
|
||||
print('Load data of heating data')
|
||||
len_sample = sample.length(run)
|
||||
|
||||
# sanity checks
|
||||
try:
|
||||
reference_data = reference.flow_data(rate)
|
||||
except IndexError:
|
||||
print('ERROR: Reference measurement has no heat rate {} K/min'.format(rate))
|
||||
print('Stop evaluation')
|
||||
sys.exit()
|
||||
|
||||
try:
|
||||
run_baseline = empty.get_run(rate)
|
||||
except ValueError:
|
||||
print('ERROR: Empty measurement has no heat rate {} K/min'.format(rate))
|
||||
print('Stop evaluation')
|
||||
sys.exit()
|
||||
|
||||
len_baseline = empty.length(run_baseline)
|
||||
max_length = None
|
||||
if len_baseline != len_sample:
|
||||
print('WARNING: measurements differ by {} points'.format(abs(len_baseline - len_sample)))
|
||||
max_length = min(len_baseline, len_sample)
|
||||
|
||||
sample_data = sample.flow_data(rate, length=max_length)
|
||||
empty_data = empty.flow_data(rate, length=max_length)
|
||||
|
||||
# plot input data
|
||||
fig1, ax1 = plt.subplots(2, 3, **{'figsize': (10, 6)})
|
||||
ax1[0, 0].set_title('raw data')
|
||||
ax1[0, 0].set_xlabel('T / K')
|
||||
|
||||
ax1[0, 0].plot(sample_data[0], sample_data[1], 'k-', label='Sample')
|
||||
ax1[0, 0].plot(empty_data[0], empty_data[1], 'b-', label='Empty')
|
||||
ax1[0, 0].plot(reference_data[0], reference_data[1], 'r-', label='Reference')
|
||||
ax1[0, 0].legend()
|
||||
|
||||
print('Substract empty data')
|
||||
sample_baseline = sample_data.copy()
|
||||
sample_baseline[1] = sample_data[1] - empty_data[1]
|
||||
|
||||
# plot baseline correction
|
||||
ax1[0, 1].set_title('baseline correction')
|
||||
ax1[0, 1].set_xlabel('T / K')
|
||||
|
||||
ax1[0, 1].plot(sample_data[0], sample_data[1], 'k--', label='Raw')
|
||||
ax1[0, 1].plot(sample_baseline[0], sample_baseline[1], 'k-', label='Baseline corrected')
|
||||
ax1[0, 1].plot(empty_data[0], empty_data[1], 'b-', label='Empty')
|
||||
ax1[0, 1].legend()
|
||||
|
||||
print('Load isothermal data around heat rate')
|
||||
mean_isotherms = []
|
||||
for offset, where, ls in [(-1, 'low', '-'), (1, 'high', '--')]:
|
||||
# read isotherms and baseline correct
|
||||
len_baseline = empty.length(run_baseline+offset)
|
||||
len_sample = sample.length(run+offset)
|
||||
if len_baseline != len_sample:
|
||||
print('WARNING: {} T isotherms differ by {} points'.format(where, abs(len_baseline-len_sample)))
|
||||
|
||||
max_length = min(len_baseline, len_sample)
|
||||
isotherm_sample = sample.isotherm_data(run_baseline+offset, length=max_length)
|
||||
isotherm_empty = empty.isotherm_data(run+offset, length=max_length)
|
||||
|
||||
isotherm_sample[1] -= isotherm_empty[1]
|
||||
|
||||
# get mean isotherm value
|
||||
m = np.polyfit(isotherm_sample[0, 200:-200], isotherm_sample[1, 200:-200], 0)[0]
|
||||
mean_isotherms.append(m)
|
||||
print('Calculated {} heat flow: {} mW'.format(where, m))
|
||||
|
||||
ax1[0, 2].plot(isotherm_sample[0], isotherm_sample[1], 'k--')
|
||||
|
||||
# calculate slope from difference between isotherms
|
||||
slope = (mean_isotherms[1]-mean_isotherms[0]) / (sample_data[2, -1] - empty_data[2, 0])
|
||||
print('Heat flow slope from isotherms: {} per minute'.format(slope*60))
|
||||
|
||||
# calculate mean slope of heat flow at points in the beginning
|
||||
slope_baseline = np.gradient(sample_baseline[1, int(4000/rate):int(9000/rate)],
|
||||
sample_baseline[2, 300]-sample_baseline[2, 299]).mean()
|
||||
print('Heat flow slope from initial heating: {} per minute'.format(slope_baseline*60))
|
||||
|
||||
drift_corrected = sample_baseline[1] - mean_isotherms[0] - (sample_baseline[2]-empty_data[2, 0])*slope
|
||||
drift_from_slope = sample_baseline[1] - mean_isotherms[0] - (sample_baseline[2]-empty_data[2, 0])*slope_baseline
|
||||
|
||||
# plot
|
||||
ax1[0, 2].axhline(mean_isotherms[0], linestyle=':')
|
||||
ax1[0, 2].axhline(mean_isotherms[1], linestyle=':')
|
||||
|
||||
ax1[0, 2].plot(sample_baseline[2], sample_baseline[1], 'k-', label='Baseline corrected')
|
||||
ax1[0, 2].plot(sample_baseline[2], drift_corrected, 'g-', label='Corrected (isotherm)')
|
||||
ax1[0, 2].plot(sample_baseline[2], drift_from_slope, 'b-', label='Corrected (heating)')
|
||||
|
||||
ax1[0, 2].plot(sample_baseline[2], mean_isotherms[0] + (sample_baseline[2]-empty_data[2, 0])*slope, 'g--')
|
||||
ax1[0, 2].plot(sample_baseline[2], mean_isotherms[0] + slope_baseline*(sample_baseline[2]-empty_data[2, 0]),
|
||||
'b--')
|
||||
|
||||
ax1[0, 2].plot(sample_baseline[2, int(4000/rate):int(9000/rate)],
|
||||
sample_baseline[1, int(4000/rate):int(9000/rate)], 'r--')
|
||||
|
||||
ax1[0, 2].set_title('time dependence')
|
||||
ax1[0, 2].set_xlabel('t / s')
|
||||
ax1[0, 2].legend()
|
||||
|
||||
melts = []
|
||||
for i, (trans_temp, enthalpy) in enumerate(ref_points.transitions):
|
||||
print(trans_temp, enthalpy)
|
||||
|
||||
# region around reference peaks
|
||||
# NOTE: limits are hard coded for cyclohexane, other references need other limits
|
||||
low_border = np.argmin(abs(reference_data[0]-(trans_temp-15)))
|
||||
high_border = np.argmin(abs(reference_data[0]-(trans_temp+15)))
|
||||
ref_zoom = reference_data[:, low_border:high_border]
|
||||
x_val = np.array([[ref_zoom[0, 0], 1],
|
||||
[ref_zoom[0, -1], 1]])
|
||||
y_val = np.array([ref_zoom[1, 0],
|
||||
ref_zoom[1, -1]])
|
||||
print('Baseline correct reference of {} transition'.format(trans_temp))
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
ref_zoom[1] -= (ref_zoom[0] * sol[0] + sol[1])
|
||||
peak_max = ref_zoom[:, np.argmax(ref_zoom[1])]
|
||||
integration_limit = np.argmin(abs(ref_zoom[0]-peak_max[0]+3)), np.argmin(abs(ref_zoom[0]-peak_max[0]-3))
|
||||
|
||||
# substract baseline around reference peaks
|
||||
x_val = np.array([[ref_zoom[0, integration_limit[0]], 1],
|
||||
[ref_zoom[0, integration_limit[1]], 1]])
|
||||
y_val = np.array([ref_zoom[1, integration_limit[0]],
|
||||
ref_zoom[1, integration_limit[1]]])
|
||||
|
||||
print('Baseline correct reference of {} transition'.format(trans_temp))
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
ref_zoom[1] -= (ref_zoom[0] * sol[0] + sol[1])
|
||||
|
||||
# calculate onset slope (use points at position of maximum gradient +/- 100/rate)
|
||||
ref_grad = np.gradient(ref_zoom[1])
|
||||
max_grad = np.argmax(ref_grad)
|
||||
|
||||
x_val = np.array([[ref_zoom[0, max_grad-int(100/rate)], 1],
|
||||
[ref_zoom[0, max_grad+int(100/rate)+1], 1]])
|
||||
y_val = np.array([ref_zoom[1, max_grad-int(100/rate)],
|
||||
ref_zoom[1, max_grad+int(100/rate)+1]])
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
onset = sol[0]*ref_zoom[0] + sol[1]
|
||||
|
||||
melts.append(-sol[1]/sol[0])
|
||||
|
||||
# plot
|
||||
ax1[1, i].set_title('reference: {:.2f} K'.format(trans_temp))
|
||||
ax1[1, i].set_xlabel('T / K')
|
||||
|
||||
ax1[1, i].plot(reference_data[0], reference_data[1], 'r-')
|
||||
ax1[1, i].plot(ref_zoom[0, max_grad], ref_zoom[0, max_grad], 'kx')
|
||||
ax1[1, i].plot(ref_zoom[0], onset, 'k--')
|
||||
ax1[1, i].axhline(0, color='k', linestyle='--')
|
||||
|
||||
ax1[1, i].set_xlim(ref_zoom[0, integration_limit[0]], ref_zoom[0, integration_limit[1]])
|
||||
ax1[1, i].set_ylim(-max(ref_zoom[1])/10, max(ref_zoom[1])*1.1)
|
||||
|
||||
print('Onset of transition: {:.2f} K, should be at {:.2f}'.format(melts[-1], trans_temp))
|
||||
if enthalpy is not None:
|
||||
# integrate over low temperature peak to calibrate y axis
|
||||
# NOTE: again, this is only valid for cyclohexane
|
||||
# delta H in J/g: Integrate Peak over time and divide by weight
|
||||
area = 1e-3 * simps(ref_zoom[1, integration_limit[0]:integration_limit[1]],
|
||||
ref_zoom[2, integration_limit[0]:integration_limit[1]],
|
||||
even='avg')
|
||||
calib_y_axis = enthalpy / (area / reference.weight)
|
||||
print("Calibration factor of peak: {}".format(calib_y_axis))
|
||||
|
||||
sample_baseline[1] *= calib_y_axis
|
||||
|
||||
fig1.delaxes(ax1[1, 2])
|
||||
fig1.tight_layout()
|
||||
|
||||
plt.show()
|
||||
|
||||
# give a choice how to compensate for long-time drift
|
||||
mode = None
|
||||
while mode not in ['i', 'h']:
|
||||
mode = input('\nUse [i]sotherms or initial [h]eating for long-time correction? (Default: i) ')
|
||||
if mode == '':
|
||||
mode = 'i'
|
||||
|
||||
if mode == 'h':
|
||||
print('\nCorrect slope from initial heating')
|
||||
sample_baseline[1] = drift_from_slope
|
||||
else:
|
||||
print('\nCorrect slope from isotherm')
|
||||
sample_baseline[1] = drift_corrected
|
||||
|
||||
# calibrate T axis
|
||||
print('\nCalibrate temperature')
|
||||
real_trans = np.array([ref_points.transition1, ref_points.transition2])
|
||||
t_vals = np.array([[melts[0], 1],
|
||||
[melts[1], 1]])
|
||||
calibration_temp = np.linalg.solve(t_vals, real_trans)
|
||||
print('T_real = {:.4f} * T_meas {:+.4f}'.format(*calibration_temp))
|
||||
|
||||
sample_baseline[0] = calibration_temp[0] * sample_baseline[0] + calibration_temp[1]
|
||||
|
||||
print('Convert to capacity')
|
||||
cp = sample_baseline[1] * 60. / rate / sample.weight / 1000.
|
||||
if sample.weight is None:
|
||||
raise ValueError('No sample weight given')
|
||||
|
||||
# plot final results in separate figure
|
||||
fig2, ax2 = plt.subplots()
|
||||
ax2.set_title('{} K/min: Heat flow vs. heat capacity (close to cont.)'.format(rate))
|
||||
ax2.set_xlabel('Temperature / K')
|
||||
|
||||
ax2.plot(sample_baseline[0], sample_baseline[1], label='heat flow')
|
||||
ax2.plot(sample_baseline[0], cp, label='heat capacity')
|
||||
|
||||
plt.legend()
|
||||
plt.show()
|
||||
|
||||
outname = os.path.splitext(sample.name)[0] + '_' + str(rate) + 'K-min.dat'
|
||||
header = 'Made with version: {}\n'.format(__version__)
|
||||
header += 'T/K\tCp/J/(gK)\theat flow/mW'
|
||||
|
||||
print()
|
||||
print('Save to', outname)
|
||||
np.savetxt(outname, np.c_[sample_baseline[0], cp, sample_baseline[1]], header=header)
|
||||
|
||||
|
||||
if __name__ == '__main__':
|
||||
args = parser.parse_args()
|
||||
evaluate(args.sample, args.empty, args.reference, show_cooling=args.cooling)
|
@ -33,7 +33,7 @@ class DSCSample:
|
||||
|
||||
self.read_file(fname)
|
||||
|
||||
def read_file(self, fname: str | Path):
|
||||
def read_file(self, fname: str | Path) -> None:
|
||||
fname = Path(fname)
|
||||
|
||||
# file contains weird deg C character in stupiod ISO encoding
|
||||
@ -141,7 +141,7 @@ class DSCCalibrator:
|
||||
def __init__(self):
|
||||
self.sample = None
|
||||
self.empty = None
|
||||
self.reference =[]
|
||||
self.reference = []
|
||||
self.ref_list = []
|
||||
|
||||
def set_measurement(self,
|
||||
@ -207,11 +207,8 @@ class DSCCalibrator:
|
||||
integ_limit = (np.argmin(np.abs(ref_zoom[0] - peak_max[0] + 3)),
|
||||
np.argmin(np.abs(ref_zoom[0] - peak_max[0] - 3)))
|
||||
|
||||
# substract baseline around reference peaks
|
||||
x_val = np.array([[ref_zoom[0, integ_limit[0]], 1], [ref_zoom[0, integ_limit[1]], 1]])
|
||||
y_val = np.array([ref_zoom[1, integ_limit[0]], ref_zoom[1, integ_limit[1]]])
|
||||
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
# subtract baseline around reference peak
|
||||
sol = self.solve_linear_eq(integ_limit, ref_zoom)
|
||||
ref_zoom[1] -= (ref_zoom[0] * sol[0] + sol[1])
|
||||
|
||||
# calculate onset slope (use points at position of maximum gradient - 100/rate (+50/rate))
|
||||
@ -220,11 +217,7 @@ class DSCCalibrator:
|
||||
|
||||
grad_pos = max_grad-int(50 / rate), max_grad
|
||||
|
||||
x_val = np.array([[ref_zoom[0, grad_pos[0]], 1],
|
||||
[ref_zoom[0, grad_pos[1]], 1]])
|
||||
y_val = np.array([ref_zoom[1, grad_pos[0]],
|
||||
ref_zoom[1,grad_pos[1]]])
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
sol = self.solve_linear_eq(grad_pos, ref_zoom)
|
||||
onset = sol[0] * ref_zoom[0] + sol[1]
|
||||
|
||||
melts.append(-sol[1] / sol[0])
|
||||
@ -254,7 +247,15 @@ class DSCCalibrator:
|
||||
|
||||
return calib_x, calib_y, results
|
||||
|
||||
def get_data(self, idx, slope='iso'):
|
||||
@staticmethod
|
||||
def solve_linear_eq(limits: tuple, ref_zoom: np.ndarray) -> np.ndarray:
|
||||
x_val = np.array([[ref_zoom[0, limits[0]], 1], [ref_zoom[0, limits[1]], 1]])
|
||||
y_val = np.array([ref_zoom[1, limits[0]], ref_zoom[1, limits[1]]])
|
||||
sol = np.linalg.solve(x_val, y_val)
|
||||
|
||||
return sol
|
||||
|
||||
def get_data(self, idx: int, slope: str = 'iso', limits: tuple[float, float] = None):
|
||||
if self.sample.steps[idx][0] == 'i':
|
||||
raise ValueError('baseline correction is not implemented for isotherms')
|
||||
|
||||
@ -304,21 +305,36 @@ class DSCCalibrator:
|
||||
drift_value = np.c_[drift_value, isotherm_sample]
|
||||
|
||||
if slope is not None:
|
||||
offset = sample_data[1, 200]
|
||||
if slope == 'iso':
|
||||
# calculate slope from difference between isotherms
|
||||
m = (mean_isotherms[1] - mean_isotherms[0]) / (sample_data[2, -1] - sample_data[2, 0])
|
||||
offset = sample_data[1, 200]
|
||||
|
||||
else:
|
||||
# calculate mean slope of heat flow from points in the beginning
|
||||
offset = sample_data[1, 200]
|
||||
grad = np.gradient(sample_data[1, :], sample_data[2, :])
|
||||
region = None
|
||||
if limits is not None:
|
||||
if len(limits) != 2:
|
||||
raise ValueError(f'limits must be tuple of len 2, not {limits!r}')
|
||||
min_lim, max_lim = min(limits), max(limits)
|
||||
window = (sample_data[2, :] >= min_lim) * (sample_data[2, :] <= max_lim)
|
||||
region = sample_data[1:, window]
|
||||
|
||||
if region.shape[1] <= 2:
|
||||
# raise ValueError(f'No data inside selected time window {min_lim/60} min and {max_lim/60} min')
|
||||
region = None
|
||||
|
||||
if region is None:
|
||||
# if no limits, use all
|
||||
region = sample_data[1:, :]
|
||||
|
||||
grad = np.gradient(region[0, :], region[1, :])
|
||||
grad = grad[~np.isnan(grad)]
|
||||
m = grad[(grad < grad.mean()+grad.std()/5)*(grad > grad.mean()-grad.std()/5)].mean()
|
||||
|
||||
sample_data[1] -= m * (sample_data[2] - sample_data[2, 200]) + offset
|
||||
line = np.array([[sample_data[2, 0], sample_data[2, -1]],
|
||||
[m * (sample_data[2, 200] - sample_data[2, 200]) + offset,
|
||||
[m * (sample_data[2, 0] - sample_data[2, 200]) + offset,
|
||||
m * (sample_data[2, -1] - sample_data[2, 200]) + offset]])
|
||||
|
||||
else:
|
||||
|
@ -6,349 +6,445 @@
|
||||
<rect>
|
||||
<x>0</x>
|
||||
<y>0</y>
|
||||
<width>962</width>
|
||||
<height>662</height>
|
||||
<width>1341</width>
|
||||
<height>799</height>
|
||||
</rect>
|
||||
</property>
|
||||
<property name="windowTitle">
|
||||
<string>Read DSC file</string>
|
||||
</property>
|
||||
<layout class="QGridLayout" name="gridLayout_2">
|
||||
<item row="1" column="1">
|
||||
<widget class="QDialogButtonBox" name="buttonBox">
|
||||
<layout class="QVBoxLayout" name="verticalLayout_5">
|
||||
<item>
|
||||
<widget class="QSplitter" name="splitter">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Horizontal</enum>
|
||||
</property>
|
||||
<property name="standardButtons">
|
||||
<set>QDialogButtonBox::Apply|QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::Save</set>
|
||||
</property>
|
||||
<widget class="QWidget" name="verticalLayoutWidget">
|
||||
<layout class="QVBoxLayout" name="verticalLayout_4">
|
||||
<property name="leftMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QGroupBox" name="groupBox">
|
||||
<property name="title">
|
||||
<string>Detected steps</string>
|
||||
</property>
|
||||
<property name="flat">
|
||||
<bool>false</bool>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout">
|
||||
<property name="leftMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QListWidget" name="step_listWidget">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Minimum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QGroupBox" name="groupBox_2">
|
||||
<property name="title">
|
||||
<string>Baseline corrections</string>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout_2">
|
||||
<property name="leftMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QGroupBox" name="groupBox_4">
|
||||
<property name="title">
|
||||
<string>Empty measurement</string>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout_6">
|
||||
<property name="leftMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QLabel" name="empty_label">
|
||||
<property name="text">
|
||||
<string>No emtpy measurement</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<layout class="QHBoxLayout" name="horizontalLayout_2">
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QPushButton" name="loadempty_button">
|
||||
<property name="text">
|
||||
<string>Load empty</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QPushButton" name="delempty_button">
|
||||
<property name="text">
|
||||
<string>Remove empty</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QGroupBox" name="groupBox_5">
|
||||
<property name="title">
|
||||
<string>Slope correction</string>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout_7">
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<property name="leftMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QRadioButton" name="none_radioButton">
|
||||
<property name="text">
|
||||
<string>None</string>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QRadioButton" name="isotherm_radioButton">
|
||||
<property name="text">
|
||||
<string>Isotherms</string>
|
||||
</property>
|
||||
<property name="checked">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QRadioButton" name="slope_radioButton">
|
||||
<property name="text">
|
||||
<string>Initial slope</string>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QWidget" name="widget" native="true">
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>33</height>
|
||||
</size>
|
||||
</property>
|
||||
<layout class="QHBoxLayout" name="horizontalLayout_3">
|
||||
<property name="leftMargin">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QLineEdit" name="limit1_lineedit">
|
||||
<property name="placeholderText">
|
||||
<string>start (in min)</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QLineEdit" name="limit2_lineedit">
|
||||
<property name="text">
|
||||
<string/>
|
||||
</property>
|
||||
<property name="placeholderText">
|
||||
<string>stop (in min)</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QGroupBox" name="groupBox_3">
|
||||
<property name="title">
|
||||
<string>References</string>
|
||||
</property>
|
||||
<layout class="QVBoxLayout" name="verticalLayout_3">
|
||||
<property name="leftMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="topMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<property name="bottomMargin">
|
||||
<number>6</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QCheckBox" name="cp_checkBox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Minimum" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Use reference to convert to heat capacity</string>
|
||||
</property>
|
||||
<property name="checked">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QTableWidget" name="reference_tableWidget">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="selectionMode">
|
||||
<enum>QAbstractItemView::SingleSelection</enum>
|
||||
</property>
|
||||
<property name="selectionBehavior">
|
||||
<enum>QAbstractItemView::SelectRows</enum>
|
||||
</property>
|
||||
<property name="columnCount">
|
||||
<number>2</number>
|
||||
</property>
|
||||
<attribute name="horizontalHeaderVisible">
|
||||
<bool>false</bool>
|
||||
</attribute>
|
||||
<attribute name="horizontalHeaderStretchLastSection">
|
||||
<bool>true</bool>
|
||||
</attribute>
|
||||
<attribute name="verticalHeaderVisible">
|
||||
<bool>false</bool>
|
||||
</attribute>
|
||||
<column/>
|
||||
<column/>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<layout class="QHBoxLayout" name="horizontalLayout">
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QPushButton" name="ref_add_pushButton">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Add reference</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QPushButton" name="ref_remove_pushButton">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Remove reference</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<spacer name="verticalSpacer">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Vertical</enum>
|
||||
</property>
|
||||
<property name="sizeHint" stdset="0">
|
||||
<size>
|
||||
<width>20</width>
|
||||
<height>40</height>
|
||||
</size>
|
||||
</property>
|
||||
</spacer>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QDialogButtonBox" name="buttonBox">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Horizontal</enum>
|
||||
</property>
|
||||
<property name="standardButtons">
|
||||
<set>QDialogButtonBox::Apply|QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::Save</set>
|
||||
</property>
|
||||
<property name="centerButtons">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
<widget class="QWidget" name="">
|
||||
<layout class="QGridLayout" name="gridLayout">
|
||||
<item row="0" column="0">
|
||||
<widget class="PlotWidget" name="raw_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>300</width>
|
||||
<height>200</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="1" column="0">
|
||||
<widget class="PlotWidget" name="calib_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>300</width>
|
||||
<height>200</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="1">
|
||||
<widget class="PlotWidget" name="baseline_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>300</width>
|
||||
<height>200</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="1" column="1">
|
||||
<widget class="PlotWidget" name="end_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0">
|
||||
<layout class="QGridLayout" name="gridLayout_4">
|
||||
<property name="topMargin">
|
||||
<number>0</number>
|
||||
</property>
|
||||
<property name="rightMargin">
|
||||
<number>0</number>
|
||||
</property>
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item row="11" column="0" colspan="4">
|
||||
<widget class="QCheckBox" name="cp_checkBox">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Minimum" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Convert to heat capacity</string>
|
||||
</property>
|
||||
<property name="checked">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="5" column="0" colspan="4">
|
||||
<layout class="QHBoxLayout" name="horizontalLayout_2">
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QPushButton" name="loadempty_button">
|
||||
<property name="text">
|
||||
<string>Load empty</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QPushButton" name="delempty_button">
|
||||
<property name="text">
|
||||
<string>Remove empty</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item row="12" column="0">
|
||||
<spacer name="verticalSpacer">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Vertical</enum>
|
||||
</property>
|
||||
<property name="sizeHint" stdset="0">
|
||||
<size>
|
||||
<width>20</width>
|
||||
<height>40</height>
|
||||
</size>
|
||||
</property>
|
||||
</spacer>
|
||||
</item>
|
||||
<item row="6" column="1">
|
||||
<widget class="QRadioButton" name="isotherm_radioButton">
|
||||
<property name="text">
|
||||
<string>Isotherms</string>
|
||||
</property>
|
||||
<property name="checked">
|
||||
<bool>true</bool>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="0" colspan="4">
|
||||
<widget class="QLabel" name="label_4">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Preferred" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="styleSheet">
|
||||
<string notr="true">font-weight: bold</string>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Detected steps</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="9" column="0" colspan="4">
|
||||
<widget class="QTableWidget" name="reference_tableWidget">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
<property name="selectionMode">
|
||||
<enum>QAbstractItemView::SingleSelection</enum>
|
||||
</property>
|
||||
<property name="selectionBehavior">
|
||||
<enum>QAbstractItemView::SelectRows</enum>
|
||||
</property>
|
||||
<property name="columnCount">
|
||||
<number>2</number>
|
||||
</property>
|
||||
<attribute name="horizontalHeaderVisible">
|
||||
<bool>false</bool>
|
||||
</attribute>
|
||||
<attribute name="horizontalHeaderStretchLastSection">
|
||||
<bool>true</bool>
|
||||
</attribute>
|
||||
<attribute name="verticalHeaderVisible">
|
||||
<bool>false</bool>
|
||||
</attribute>
|
||||
<column/>
|
||||
<column/>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="1" column="0" colspan="4">
|
||||
<widget class="QListWidget" name="step_listWidget">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Minimum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="6" column="0">
|
||||
<widget class="QLabel" name="label">
|
||||
<property name="text">
|
||||
<string>Slope</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="6" column="2">
|
||||
<widget class="QRadioButton" name="slope_radioButton">
|
||||
<property name="text">
|
||||
<string>Initial slope</string>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="4" column="0" colspan="4">
|
||||
<widget class="QLabel" name="empty_label">
|
||||
<property name="text">
|
||||
<string>Empty measurement</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="8" column="0" colspan="4">
|
||||
<widget class="QLabel" name="label_3">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Preferred" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="styleSheet">
|
||||
<string notr="true">font-weight: bold</string>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Calibration</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="3" column="0" colspan="4">
|
||||
<widget class="QLabel" name="label_2">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="Preferred" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="styleSheet">
|
||||
<string notr="true">font-weight: bold</string>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Baseline</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="7" column="0" colspan="4">
|
||||
<widget class="Line" name="line">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Horizontal</enum>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="6" column="3">
|
||||
<widget class="QRadioButton" name="none_radioButton">
|
||||
<property name="text">
|
||||
<string>None</string>
|
||||
</property>
|
||||
<attribute name="buttonGroup">
|
||||
<string notr="true">buttonGroup</string>
|
||||
</attribute>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="10" column="0" colspan="4">
|
||||
<layout class="QHBoxLayout" name="horizontalLayout">
|
||||
<property name="spacing">
|
||||
<number>3</number>
|
||||
</property>
|
||||
<item>
|
||||
<widget class="QPushButton" name="ref_add_pushButton">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Add reference</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item>
|
||||
<widget class="QPushButton" name="ref_remove_pushButton">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="Maximum">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="text">
|
||||
<string>Remove reference</string>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item row="2" column="0" colspan="4">
|
||||
<widget class="Line" name="line_2">
|
||||
<property name="orientation">
|
||||
<enum>Qt::Horizontal</enum>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
<item row="0" column="1">
|
||||
<layout class="QGridLayout" name="gridLayout">
|
||||
<item row="0" column="0">
|
||||
<widget class="PlotWidget" name="raw_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>300</width>
|
||||
<height>200</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="1" column="0">
|
||||
<widget class="PlotWidget" name="calib_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>300</width>
|
||||
<height>200</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="0" column="1">
|
||||
<widget class="PlotWidget" name="baseline_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>300</width>
|
||||
<height>200</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
<item row="1" column="1">
|
||||
<widget class="PlotWidget" name="end_graph">
|
||||
<property name="sizePolicy">
|
||||
<sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
|
||||
<horstretch>0</horstretch>
|
||||
<verstretch>0</verstretch>
|
||||
</sizepolicy>
|
||||
</property>
|
||||
<property name="minimumSize">
|
||||
<size>
|
||||
<width>0</width>
|
||||
<height>0</height>
|
||||
</size>
|
||||
</property>
|
||||
</widget>
|
||||
</item>
|
||||
</layout>
|
||||
</item>
|
||||
</layout>
|
||||
</widget>
|
||||
<customwidgets>
|
||||
|
Loading…
Reference in New Issue
Block a user