Source code for schrodinger.application.jaguar.gui.ui.properties_tab_ui
# -*- coding: utf-8 -*-
# Form implementation generated from reading ui file '/scr/buildbot/src/mmshare/python/modules/schrodinger/application/jaguar/gui/ui/properties_tab.ui'
#
# Created by: PyQt5 UI code generator 5.15.4
#
# 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
[docs]class Ui_Form(object):
[docs] def setupUi(self, Form):
Form.setObjectName("Form")
Form.resize(879, 828)
self.verticalLayout_30 = QtWidgets.QVBoxLayout(Form)
self.verticalLayout_30.setObjectName("verticalLayout_30")
self.label = QtWidgets.QLabel(Form)
self.label.setObjectName("label")
self.verticalLayout_30.addWidget(self.label)
self.properties_tablew = PropertiesTableWidget(Form)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Expanding)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(1)
sizePolicy.setHeightForWidth(self.properties_tablew.sizePolicy().hasHeightForWidth())
self.properties_tablew.setSizePolicy(sizePolicy)
self.properties_tablew.setMinimumSize(QtCore.QSize(0, 200))
self.properties_tablew.setEditTriggers(QtWidgets.QAbstractItemView.NoEditTriggers)
self.properties_tablew.setSelectionMode(QtWidgets.QAbstractItemView.SingleSelection)
self.properties_tablew.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.properties_tablew.setObjectName("properties_tablew")
self.properties_tablew.setColumnCount(2)
self.properties_tablew.setRowCount(14)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(1, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(2, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(3, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(4, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(5, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(6, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(7, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(8, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(9, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(10, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(11, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(12, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setVerticalHeaderItem(13, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setHorizontalHeaderItem(0, item)
item = QtWidgets.QTableWidgetItem()
item.setTextAlignment(QtCore.Qt.AlignLeading|QtCore.Qt.AlignVCenter)
self.properties_tablew.setHorizontalHeaderItem(1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(0, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(0, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(1, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(1, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(2, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(2, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(3, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(3, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(4, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(4, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(5, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(5, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(6, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(6, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(7, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(7, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(8, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(8, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(9, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(9, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(10, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(10, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(11, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(11, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(12, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(12, 1, item)
item = QtWidgets.QTableWidgetItem()
item.setCheckState(QtCore.Qt.Unchecked)
self.properties_tablew.setItem(13, 0, item)
item = QtWidgets.QTableWidgetItem()
self.properties_tablew.setItem(13, 1, item)
self.properties_tablew.horizontalHeader().setStretchLastSection(True)
self.properties_tablew.verticalHeader().setVisible(False)
self.verticalLayout_30.addWidget(self.properties_tablew)
self.subtabs_sw = QtWidgets.QStackedWidget(Form)
self.subtabs_sw.setObjectName("subtabs_sw")
self.page = QtWidgets.QWidget()
self.page.setObjectName("page")
self.verticalLayout_13 = QtWidgets.QVBoxLayout(self.page)
self.verticalLayout_13.setObjectName("verticalLayout_13")
self.groupBox = QtWidgets.QGroupBox(self.page)
self.groupBox.setObjectName("groupBox")
self.horizontalLayout_10 = QtWidgets.QHBoxLayout(self.groupBox)
self.horizontalLayout_10.setObjectName("horizontalLayout_10")
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
self.horizontalLayout_2.setObjectName("horizontalLayout_2")
self.verticalLayout_2 = QtWidgets.QVBoxLayout()
self.verticalLayout_2.setObjectName("verticalLayout_2")
self.use_hessian_cb = QtWidgets.QCheckBox(self.groupBox)
self.use_hessian_cb.setObjectName("use_hessian_cb")
self.verticalLayout_2.addWidget(self.use_hessian_cb)
self.ir_intensities_cb = QtWidgets.QCheckBox(self.groupBox)
self.ir_intensities_cb.setObjectName("ir_intensities_cb")
self.verticalLayout_2.addWidget(self.ir_intensities_cb)
self.formLayout = QtWidgets.QFormLayout()
self.formLayout.setObjectName("formLayout")
self.label_2 = QtWidgets.QLabel(self.groupBox)
self.label_2.setObjectName("label_2")
self.formLayout.setWidget(0, QtWidgets.QFormLayout.LabelRole, self.label_2)
self.atomic_masses_combo = EnhancedComboBox(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.atomic_masses_combo.sizePolicy().hasHeightForWidth())
self.atomic_masses_combo.setSizePolicy(sizePolicy)
self.atomic_masses_combo.setObjectName("atomic_masses_combo")
self.formLayout.setWidget(0, QtWidgets.QFormLayout.FieldRole, self.atomic_masses_combo)
self.label_3 = QtWidgets.QLabel(self.groupBox)
self.label_3.setObjectName("label_3")
self.formLayout.setWidget(1, QtWidgets.QFormLayout.LabelRole, self.label_3)
self.horizontalLayout_3 = QtWidgets.QHBoxLayout()
self.horizontalLayout_3.setObjectName("horizontalLayout_3")
self.scaling_combo = QtWidgets.QComboBox(self.groupBox)
self.scaling_combo.setObjectName("scaling_combo")
self.scaling_combo.addItem("")
self.scaling_combo.addItem("")
self.scaling_combo.addItem("")
self.scaling_combo.addItem("")
self.horizontalLayout_3.addWidget(self.scaling_combo)
self.scaling_stacked = QtWidgets.QStackedWidget(self.groupBox)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.scaling_stacked.sizePolicy().hasHeightForWidth())
self.scaling_stacked.setSizePolicy(sizePolicy)
self.scaling_stacked.setObjectName("scaling_stacked")
self.page_3 = QtWidgets.QWidget()
self.page_3.setObjectName("page_3")
self.scaling_stacked.addWidget(self.page_3)
self.page_5 = QtWidgets.QWidget()
self.page_5.setObjectName("page_5")
self.scaling_stacked.addWidget(self.page_5)
self.page_6 = QtWidgets.QWidget()
self.page_6.setObjectName("page_6")
self.scaling_stacked.addWidget(self.page_6)
self.page_4 = QtWidgets.QWidget()
self.page_4.setObjectName("page_4")
self.horizontalLayout_4 = QtWidgets.QHBoxLayout(self.page_4)
self.horizontalLayout_4.setContentsMargins(0, 0, 0, 0)
self.horizontalLayout_4.setObjectName("horizontalLayout_4")
self.custom_scale_sb = QtWidgets.QDoubleSpinBox(self.page_4)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.custom_scale_sb.sizePolicy().hasHeightForWidth())
self.custom_scale_sb.setSizePolicy(sizePolicy)
self.custom_scale_sb.setDecimals(3)
self.custom_scale_sb.setMaximum(1.0)
self.custom_scale_sb.setSingleStep(0.1)
self.custom_scale_sb.setProperty("value", 1.0)
self.custom_scale_sb.setObjectName("custom_scale_sb")
self.horizontalLayout_4.addWidget(self.custom_scale_sb)
self.scaling_stacked.addWidget(self.page_4)
self.horizontalLayout_3.addWidget(self.scaling_stacked)
spacerItem = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_3.addItem(spacerItem)
self.formLayout.setLayout(1, QtWidgets.QFormLayout.FieldRole, self.horizontalLayout_3)
self.verticalLayout_2.addLayout(self.formLayout)
spacerItem1 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_2.addItem(spacerItem1)
self.horizontalLayout_2.addLayout(self.verticalLayout_2)
self.groupBox_2 = QtWidgets.QGroupBox(self.groupBox)
self.groupBox_2.setObjectName("groupBox_2")
self.verticalLayout_3 = QtWidgets.QVBoxLayout(self.groupBox_2)
self.verticalLayout_3.setObjectName("verticalLayout_3")
self.formLayout_2 = QtWidgets.QFormLayout()
self.formLayout_2.setObjectName("formLayout_2")
self.label_4 = QtWidgets.QLabel(self.groupBox_2)
self.label_4.setObjectName("label_4")
self.formLayout_2.setWidget(0, QtWidgets.QFormLayout.LabelRole, self.label_4)
self.label_8 = QtWidgets.QLabel(self.groupBox_2)
self.label_8.setObjectName("label_8")
self.formLayout_2.setWidget(1, QtWidgets.QFormLayout.LabelRole, self.label_8)
self.label_9 = QtWidgets.QLabel(self.groupBox_2)
self.label_9.setObjectName("label_9")
self.formLayout_2.setWidget(2, QtWidgets.QFormLayout.LabelRole, self.label_9)
self.label_10 = QtWidgets.QLabel(self.groupBox_2)
self.label_10.setObjectName("label_10")
self.formLayout_2.setWidget(3, QtWidgets.QFormLayout.LabelRole, self.label_10)
self.horizontalLayout_5 = QtWidgets.QHBoxLayout()
self.horizontalLayout_5.setObjectName("horizontalLayout_5")
self.pressure_le = QtWidgets.QLineEdit(self.groupBox_2)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.pressure_le.sizePolicy().hasHeightForWidth())
self.pressure_le.setSizePolicy(sizePolicy)
self.pressure_le.setObjectName("pressure_le")
self.horizontalLayout_5.addWidget(self.pressure_le)
self.label_5 = QtWidgets.QLabel(self.groupBox_2)
self.label_5.setObjectName("label_5")
self.horizontalLayout_5.addWidget(self.label_5)
spacerItem2 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_5.addItem(spacerItem2)
self.formLayout_2.setLayout(0, QtWidgets.QFormLayout.FieldRole, self.horizontalLayout_5)
self.horizontalLayout_6 = QtWidgets.QHBoxLayout()
self.horizontalLayout_6.setObjectName("horizontalLayout_6")
self.start_temp_le = QtWidgets.QLineEdit(self.groupBox_2)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.start_temp_le.sizePolicy().hasHeightForWidth())
self.start_temp_le.setSizePolicy(sizePolicy)
self.start_temp_le.setObjectName("start_temp_le")
self.horizontalLayout_6.addWidget(self.start_temp_le)
self.label_6 = QtWidgets.QLabel(self.groupBox_2)
self.label_6.setObjectName("label_6")
self.horizontalLayout_6.addWidget(self.label_6)
spacerItem3 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_6.addItem(spacerItem3)
self.formLayout_2.setLayout(1, QtWidgets.QFormLayout.FieldRole, self.horizontalLayout_6)
self.horizontalLayout_7 = QtWidgets.QHBoxLayout()
self.horizontalLayout_7.setObjectName("horizontalLayout_7")
self.increment_le = QtWidgets.QLineEdit(self.groupBox_2)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.increment_le.sizePolicy().hasHeightForWidth())
self.increment_le.setSizePolicy(sizePolicy)
self.increment_le.setObjectName("increment_le")
self.horizontalLayout_7.addWidget(self.increment_le)
self.label_7 = QtWidgets.QLabel(self.groupBox_2)
self.label_7.setObjectName("label_7")
self.horizontalLayout_7.addWidget(self.label_7)
spacerItem4 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_7.addItem(spacerItem4)
self.formLayout_2.setLayout(2, QtWidgets.QFormLayout.FieldRole, self.horizontalLayout_7)
self.horizontalLayout_8 = QtWidgets.QHBoxLayout()
self.horizontalLayout_8.setObjectName("horizontalLayout_8")
self.num_steps_sb = QtWidgets.QSpinBox(self.groupBox_2)
self.num_steps_sb.setMinimum(1)
self.num_steps_sb.setMaximum(999999999)
self.num_steps_sb.setObjectName("num_steps_sb")
self.horizontalLayout_8.addWidget(self.num_steps_sb)
spacerItem5 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_8.addItem(spacerItem5)
self.formLayout_2.setLayout(3, QtWidgets.QFormLayout.FieldRole, self.horizontalLayout_8)
self.verticalLayout_3.addLayout(self.formLayout_2)
self.label_11 = QtWidgets.QLabel(self.groupBox_2)
self.label_11.setObjectName("label_11")
self.verticalLayout_3.addWidget(self.label_11)
self.horizontalLayout_9 = QtWidgets.QHBoxLayout()
self.horizontalLayout_9.setObjectName("horizontalLayout_9")
self.output_kcal_rb = QtWidgets.QRadioButton(self.groupBox_2)
self.output_kcal_rb.setChecked(True)
self.output_kcal_rb.setObjectName("output_kcal_rb")
self.horizontalLayout_9.addWidget(self.output_kcal_rb)
self.output_kj_rb = QtWidgets.QRadioButton(self.groupBox_2)
self.output_kj_rb.setObjectName("output_kj_rb")
self.horizontalLayout_9.addWidget(self.output_kj_rb)
spacerItem6 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_9.addItem(spacerItem6)
self.verticalLayout_3.addLayout(self.horizontalLayout_9)
spacerItem7 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_3.addItem(spacerItem7)
self.label_11.raise_()
self.horizontalLayout_2.addWidget(self.groupBox_2)
self.horizontalLayout_10.addLayout(self.horizontalLayout_2)
self.verticalLayout_13.addWidget(self.groupBox)
self.subtabs_sw.addWidget(self.page)
self.page_2 = QtWidgets.QWidget()
self.page_2.setObjectName("page_2")
self.verticalLayout_12 = QtWidgets.QVBoxLayout(self.page_2)
self.verticalLayout_12.setObjectName("verticalLayout_12")
self.groupBox_3 = QtWidgets.QGroupBox(self.page_2)
self.groupBox_3.setObjectName("groupBox_3")
self.verticalLayout = QtWidgets.QVBoxLayout(self.groupBox_3)
self.verticalLayout.setObjectName("verticalLayout")
self.gridLayout = QtWidgets.QGridLayout()
self.gridLayout.setObjectName("gridLayout")
self.electrostatic_potential_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.electrostatic_potential_cb.setObjectName("electrostatic_potential_cb")
self.gridLayout.addWidget(self.electrostatic_potential_cb, 0, 0, 1, 1)
self.box_size_adjustment_le = QtWidgets.QLabel(self.groupBox_3)
self.box_size_adjustment_le.setAlignment(QtCore.Qt.AlignRight|QtCore.Qt.AlignTrailing|QtCore.Qt.AlignVCenter)
self.box_size_adjustment_le.setObjectName("box_size_adjustment_le")
self.gridLayout.addWidget(self.box_size_adjustment_le, 0, 2, 1, 1)
self.box_size_adjust_le = QtWidgets.QLineEdit(self.groupBox_3)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.box_size_adjust_le.sizePolicy().hasHeightForWidth())
self.box_size_adjust_le.setSizePolicy(sizePolicy)
self.box_size_adjust_le.setObjectName("box_size_adjust_le")
self.gridLayout.addWidget(self.box_size_adjust_le, 0, 3, 1, 1)
self.label_13 = QtWidgets.QLabel(self.groupBox_3)
self.label_13.setObjectName("label_13")
self.gridLayout.addWidget(self.label_13, 0, 4, 1, 1)
self.average_ionization_energy_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.average_ionization_energy_cb.setObjectName("average_ionization_energy_cb")
self.gridLayout.addWidget(self.average_ionization_energy_cb, 1, 0, 1, 1)
self.label_14 = QtWidgets.QLabel(self.groupBox_3)
self.label_14.setAlignment(QtCore.Qt.AlignRight|QtCore.Qt.AlignTrailing|QtCore.Qt.AlignVCenter)
self.label_14.setObjectName("label_14")
self.gridLayout.addWidget(self.label_14, 1, 2, 1, 1)
self.grid_density_le = QtWidgets.QLineEdit(self.groupBox_3)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.grid_density_le.sizePolicy().hasHeightForWidth())
self.grid_density_le.setSizePolicy(sizePolicy)
self.grid_density_le.setObjectName("grid_density_le")
self.gridLayout.addWidget(self.grid_density_le, 1, 3, 1, 1)
self.label_15 = QtWidgets.QLabel(self.groupBox_3)
self.label_15.setObjectName("label_15")
self.gridLayout.addWidget(self.label_15, 1, 4, 1, 1)
spacerItem8 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.gridLayout.addItem(spacerItem8, 0, 1, 1, 1)
self.verticalLayout.addLayout(self.gridLayout)
self.energy_units_frame = QtWidgets.QFrame(self.groupBox_3)
self.energy_units_frame.setEnabled(False)
self.energy_units_frame.setFrameShape(QtWidgets.QFrame.NoFrame)
self.energy_units_frame.setFrameShadow(QtWidgets.QFrame.Raised)
self.energy_units_frame.setObjectName("energy_units_frame")
self.horizontalLayout_14 = QtWidgets.QHBoxLayout(self.energy_units_frame)
self.horizontalLayout_14.setContentsMargins(15, 0, 0, 0)
self.horizontalLayout_14.setObjectName("horizontalLayout_14")
self.label_16 = QtWidgets.QLabel(self.energy_units_frame)
self.label_16.setObjectName("label_16")
self.horizontalLayout_14.addWidget(self.label_16)
self.surface_energy_units_combo = EnhancedComboBox(self.energy_units_frame)
self.surface_energy_units_combo.setObjectName("surface_energy_units_combo")
self.horizontalLayout_14.addWidget(self.surface_energy_units_combo)
spacerItem9 = QtWidgets.QSpacerItem(286, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_14.addItem(spacerItem9)
self.verticalLayout.addWidget(self.energy_units_frame)
self.noncovalent_interactions_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.noncovalent_interactions_cb.setObjectName("noncovalent_interactions_cb")
self.verticalLayout.addWidget(self.noncovalent_interactions_cb)
self.noncovalent_grid_density_frame = QtWidgets.QFrame(self.groupBox_3)
self.noncovalent_grid_density_frame.setEnabled(False)
self.noncovalent_grid_density_frame.setFrameShape(QtWidgets.QFrame.NoFrame)
self.noncovalent_grid_density_frame.setFrameShadow(QtWidgets.QFrame.Raised)
self.noncovalent_grid_density_frame.setObjectName("noncovalent_grid_density_frame")
self.horizontalLayout_15 = QtWidgets.QHBoxLayout(self.noncovalent_grid_density_frame)
self.horizontalLayout_15.setContentsMargins(15, 0, 0, 0)
self.horizontalLayout_15.setObjectName("horizontalLayout_15")
self.label_17 = QtWidgets.QLabel(self.noncovalent_grid_density_frame)
self.label_17.setObjectName("label_17")
self.horizontalLayout_15.addWidget(self.label_17)
self.noncovalent_grid_density_le = QtWidgets.QLineEdit(self.noncovalent_grid_density_frame)
self.noncovalent_grid_density_le.setObjectName("noncovalent_grid_density_le")
self.horizontalLayout_15.addWidget(self.noncovalent_grid_density_le)
self.label_18 = QtWidgets.QLabel(self.noncovalent_grid_density_frame)
self.label_18.setObjectName("label_18")
self.horizontalLayout_15.addWidget(self.label_18)
spacerItem10 = QtWidgets.QSpacerItem(38, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_15.addItem(spacerItem10)
self.verticalLayout.addWidget(self.noncovalent_grid_density_frame)
self.electron_densities_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.electron_densities_cb.setObjectName("electron_densities_cb")
self.verticalLayout.addWidget(self.electron_densities_cb)
self.electron_densities_frame = QtWidgets.QFrame(self.groupBox_3)
self.electron_densities_frame.setEnabled(False)
self.electron_densities_frame.setFrameShape(QtWidgets.QFrame.NoFrame)
self.electron_densities_frame.setFrameShadow(QtWidgets.QFrame.Raised)
self.electron_densities_frame.setObjectName("electron_densities_frame")
self.verticalLayout_5 = QtWidgets.QVBoxLayout(self.electron_densities_frame)
self.verticalLayout_5.setContentsMargins(15, 0, 0, 0)
self.verticalLayout_5.setObjectName("verticalLayout_5")
self.density_only_rb = QtWidgets.QRadioButton(self.electron_densities_frame)
self.density_only_rb.setChecked(True)
self.density_only_rb.setObjectName("density_only_rb")
self.verticalLayout_5.addWidget(self.density_only_rb)
self.density_and_diff_rb = QtWidgets.QRadioButton(self.electron_densities_frame)
self.density_and_diff_rb.setObjectName("density_and_diff_rb")
self.verticalLayout_5.addWidget(self.density_and_diff_rb)
self.verticalLayout.addWidget(self.electron_densities_frame)
self.spin_density_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.spin_density_cb.setEnabled(False)
self.spin_density_cb.setObjectName("spin_density_cb")
self.verticalLayout.addWidget(self.spin_density_cb)
self.molecular_orbitals_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.molecular_orbitals_cb.setObjectName("molecular_orbitals_cb")
self.verticalLayout.addWidget(self.molecular_orbitals_cb)
self.alpha_frame = QtWidgets.QFrame(self.groupBox_3)
self.alpha_frame.setEnabled(False)
self.alpha_frame.setFrameShape(QtWidgets.QFrame.NoFrame)
self.alpha_frame.setFrameShadow(QtWidgets.QFrame.Raised)
self.alpha_frame.setObjectName("alpha_frame")
self.verticalLayout_7 = QtWidgets.QVBoxLayout(self.alpha_frame)
self.verticalLayout_7.setContentsMargins(0, 0, 0, 0)
self.verticalLayout_7.setObjectName("verticalLayout_7")
self.label_19 = QtWidgets.QLabel(self.alpha_frame)
self.label_19.setObjectName("label_19")
self.verticalLayout_7.addWidget(self.label_19)
self.horizontalLayout_16 = QtWidgets.QHBoxLayout()
self.horizontalLayout_16.setContentsMargins(15, -1, -1, -1)
self.horizontalLayout_16.setObjectName("horizontalLayout_16")
self.label_20 = QtWidgets.QLabel(self.alpha_frame)
self.label_20.setObjectName("label_20")
self.horizontalLayout_16.addWidget(self.label_20)
self.alpha_from_combo = EnhancedComboBox(self.alpha_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.alpha_from_combo.sizePolicy().hasHeightForWidth())
self.alpha_from_combo.setSizePolicy(sizePolicy)
self.alpha_from_combo.setObjectName("alpha_from_combo")
self.horizontalLayout_16.addWidget(self.alpha_from_combo)
self.alpha_from_sb = QtWidgets.QSpinBox(self.alpha_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.alpha_from_sb.sizePolicy().hasHeightForWidth())
self.alpha_from_sb.setSizePolicy(sizePolicy)
self.alpha_from_sb.setMaximum(9999)
self.alpha_from_sb.setObjectName("alpha_from_sb")
self.horizontalLayout_16.addWidget(self.alpha_from_sb)
self.label_21 = QtWidgets.QLabel(self.alpha_frame)
self.label_21.setObjectName("label_21")
self.horizontalLayout_16.addWidget(self.label_21)
self.alpha_to_combo = EnhancedComboBox(self.alpha_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.alpha_to_combo.sizePolicy().hasHeightForWidth())
self.alpha_to_combo.setSizePolicy(sizePolicy)
self.alpha_to_combo.setObjectName("alpha_to_combo")
self.horizontalLayout_16.addWidget(self.alpha_to_combo)
self.alpha_to_sb = QtWidgets.QSpinBox(self.alpha_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.alpha_to_sb.sizePolicy().hasHeightForWidth())
self.alpha_to_sb.setSizePolicy(sizePolicy)
self.alpha_to_sb.setMaximum(9999)
self.alpha_to_sb.setObjectName("alpha_to_sb")
self.horizontalLayout_16.addWidget(self.alpha_to_sb)
self.alpha_lbl = QtWidgets.QLabel(self.alpha_frame)
self.alpha_lbl.setObjectName("alpha_lbl")
self.horizontalLayout_16.addWidget(self.alpha_lbl)
spacerItem11 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_16.addItem(spacerItem11)
self.verticalLayout_7.addLayout(self.horizontalLayout_16)
self.verticalLayout.addWidget(self.alpha_frame)
self.beta_frame = QtWidgets.QFrame(self.groupBox_3)
self.beta_frame.setEnabled(False)
self.beta_frame.setFrameShape(QtWidgets.QFrame.NoFrame)
self.beta_frame.setFrameShadow(QtWidgets.QFrame.Raised)
self.beta_frame.setObjectName("beta_frame")
self.verticalLayout_6 = QtWidgets.QVBoxLayout(self.beta_frame)
self.verticalLayout_6.setContentsMargins(0, 0, 0, 0)
self.verticalLayout_6.setObjectName("verticalLayout_6")
self.label_31 = QtWidgets.QLabel(self.beta_frame)
self.label_31.setObjectName("label_31")
self.verticalLayout_6.addWidget(self.label_31)
self.horizontalLayout_19 = QtWidgets.QHBoxLayout()
self.horizontalLayout_19.setContentsMargins(15, -1, -1, -1)
self.horizontalLayout_19.setObjectName("horizontalLayout_19")
self.label_32 = QtWidgets.QLabel(self.beta_frame)
self.label_32.setObjectName("label_32")
self.horizontalLayout_19.addWidget(self.label_32)
self.beta_from_combo = EnhancedComboBox(self.beta_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.beta_from_combo.sizePolicy().hasHeightForWidth())
self.beta_from_combo.setSizePolicy(sizePolicy)
self.beta_from_combo.setObjectName("beta_from_combo")
self.horizontalLayout_19.addWidget(self.beta_from_combo)
self.beta_from_sb = QtWidgets.QSpinBox(self.beta_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.beta_from_sb.sizePolicy().hasHeightForWidth())
self.beta_from_sb.setSizePolicy(sizePolicy)
self.beta_from_sb.setMaximum(9999)
self.beta_from_sb.setObjectName("beta_from_sb")
self.horizontalLayout_19.addWidget(self.beta_from_sb)
self.label_33 = QtWidgets.QLabel(self.beta_frame)
self.label_33.setObjectName("label_33")
self.horizontalLayout_19.addWidget(self.label_33)
self.beta_to_combo = EnhancedComboBox(self.beta_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.beta_to_combo.sizePolicy().hasHeightForWidth())
self.beta_to_combo.setSizePolicy(sizePolicy)
self.beta_to_combo.setObjectName("beta_to_combo")
self.horizontalLayout_19.addWidget(self.beta_to_combo)
self.beta_to_sb = QtWidgets.QSpinBox(self.beta_frame)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.beta_to_sb.sizePolicy().hasHeightForWidth())
self.beta_to_sb.setSizePolicy(sizePolicy)
self.beta_to_sb.setMaximum(9999)
self.beta_to_sb.setObjectName("beta_to_sb")
self.horizontalLayout_19.addWidget(self.beta_to_sb)
self.beta_lbl = QtWidgets.QLabel(self.beta_frame)
self.beta_lbl.setObjectName("beta_lbl")
self.horizontalLayout_19.addWidget(self.beta_lbl)
spacerItem12 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_19.addItem(spacerItem12)
self.verticalLayout_6.addLayout(self.horizontalLayout_19)
self.verticalLayout.addWidget(self.beta_frame)
self.horizontalLayout_11 = QtWidgets.QHBoxLayout()
self.horizontalLayout_11.setObjectName("horizontalLayout_11")
self.nto_for_tddft_cb = QtWidgets.QCheckBox(self.groupBox_3)
self.nto_for_tddft_cb.setObjectName("nto_for_tddft_cb")
self.horizontalLayout_11.addWidget(self.nto_for_tddft_cb)
spacerItem13 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_11.addItem(spacerItem13)
self.verticalLayout.addLayout(self.horizontalLayout_11)
self.verticalLayout_12.addWidget(self.groupBox_3)
spacerItem14 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_12.addItem(spacerItem14)
self.subtabs_sw.addWidget(self.page_2)
self.page_7 = QtWidgets.QWidget()
self.page_7.setObjectName("page_7")
self.verticalLayout_11 = QtWidgets.QVBoxLayout(self.page_7)
self.verticalLayout_11.setObjectName("verticalLayout_11")
self.groupBox_4 = QtWidgets.QGroupBox(self.page_7)
self.groupBox_4.setObjectName("groupBox_4")
self.verticalLayout_10 = QtWidgets.QVBoxLayout(self.groupBox_4)
self.verticalLayout_10.setObjectName("verticalLayout_10")
self.formLayout_3 = QtWidgets.QFormLayout()
self.formLayout_3.setObjectName("formLayout_3")
self.label_35 = QtWidgets.QLabel(self.groupBox_4)
self.label_35.setObjectName("label_35")
self.formLayout_3.setWidget(0, QtWidgets.QFormLayout.LabelRole, self.label_35)
self.label_36 = QtWidgets.QLabel(self.groupBox_4)
self.label_36.setObjectName("label_36")
self.formLayout_3.setWidget(1, QtWidgets.QFormLayout.LabelRole, self.label_36)
self.esp_fit_combo = EnhancedComboBox(self.groupBox_4)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.esp_fit_combo.sizePolicy().hasHeightForWidth())
self.esp_fit_combo.setSizePolicy(sizePolicy)
self.esp_fit_combo.setObjectName("esp_fit_combo")
self.formLayout_3.setWidget(0, QtWidgets.QFormLayout.FieldRole, self.esp_fit_combo)
self.esp_const_combo = EnhancedComboBox(self.groupBox_4)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.esp_const_combo.sizePolicy().hasHeightForWidth())
self.esp_const_combo.setSizePolicy(sizePolicy)
self.esp_const_combo.setObjectName("esp_const_combo")
self.formLayout_3.setWidget(1, QtWidgets.QFormLayout.FieldRole, self.esp_const_combo)
self.verticalLayout_10.addLayout(self.formLayout_3)
self.label_37 = QtWidgets.QLabel(self.groupBox_4)
self.label_37.setObjectName("label_37")
self.verticalLayout_10.addWidget(self.label_37)
self.verticalLayout_9 = QtWidgets.QVBoxLayout()
self.verticalLayout_9.setContentsMargins(15, -1, -1, -1)
self.verticalLayout_9.setObjectName("verticalLayout_9")
self.esp_grid_sphere_rb = QtWidgets.QRadioButton(self.groupBox_4)
self.esp_grid_sphere_rb.setChecked(True)
self.esp_grid_sphere_rb.setObjectName("esp_grid_sphere_rb")
self.verticalLayout_9.addWidget(self.esp_grid_sphere_rb)
self.horizontalLayout_21 = QtWidgets.QHBoxLayout()
self.horizontalLayout_21.setObjectName("horizontalLayout_21")
self.esp_grid_rect_rb = QtWidgets.QRadioButton(self.groupBox_4)
self.esp_grid_rect_rb.setObjectName("esp_grid_rect_rb")
self.horizontalLayout_21.addWidget(self.esp_grid_rect_rb)
self.spacing_le = QtWidgets.QLineEdit(self.groupBox_4)
self.spacing_le.setEnabled(False)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.spacing_le.sizePolicy().hasHeightForWidth())
self.spacing_le.setSizePolicy(sizePolicy)
self.spacing_le.setObjectName("spacing_le")
self.horizontalLayout_21.addWidget(self.spacing_le)
self.spacing_lbl = QtWidgets.QLabel(self.groupBox_4)
self.spacing_lbl.setEnabled(False)
self.spacing_lbl.setObjectName("spacing_lbl")
self.horizontalLayout_21.addWidget(self.spacing_lbl)
spacerItem15 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_21.addItem(spacerItem15)
self.verticalLayout_9.addLayout(self.horizontalLayout_21)
self.verticalLayout_10.addLayout(self.verticalLayout_9)
self.verticalLayout_11.addWidget(self.groupBox_4)
spacerItem16 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_11.addItem(spacerItem16)
self.subtabs_sw.addWidget(self.page_7)
self.page_8 = QtWidgets.QWidget()
self.page_8.setObjectName("page_8")
self.verticalLayout_16 = QtWidgets.QVBoxLayout(self.page_8)
self.verticalLayout_16.setObjectName("verticalLayout_16")
self.groupBox_5 = QtWidgets.QGroupBox(self.page_8)
self.groupBox_5.setObjectName("groupBox_5")
self.verticalLayout_15 = QtWidgets.QVBoxLayout(self.groupBox_5)
self.verticalLayout_15.setObjectName("verticalLayout_15")
self.label_38 = QtWidgets.QLabel(self.groupBox_5)
self.label_38.setObjectName("label_38")
self.verticalLayout_15.addWidget(self.label_38)
self.verticalLayout_14 = QtWidgets.QVBoxLayout()
self.verticalLayout_14.setContentsMargins(15, -1, -1, -1)
self.verticalLayout_14.setObjectName("verticalLayout_14")
self.mulliken_by_atom_rb = QtWidgets.QRadioButton(self.groupBox_5)
self.mulliken_by_atom_rb.setChecked(True)
self.mulliken_by_atom_rb.setObjectName("mulliken_by_atom_rb")
self.verticalLayout_14.addWidget(self.mulliken_by_atom_rb)
self.mulliken_by_atom_and_basis_rb = QtWidgets.QRadioButton(self.groupBox_5)
self.mulliken_by_atom_and_basis_rb.setObjectName("mulliken_by_atom_and_basis_rb")
self.verticalLayout_14.addWidget(self.mulliken_by_atom_and_basis_rb)
self.mulliken_bond_populations_rb = QtWidgets.QRadioButton(self.groupBox_5)
self.mulliken_bond_populations_rb.setObjectName("mulliken_bond_populations_rb")
self.verticalLayout_14.addWidget(self.mulliken_bond_populations_rb)
self.verticalLayout_15.addLayout(self.verticalLayout_14)
self.verticalLayout_16.addWidget(self.groupBox_5)
spacerItem17 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_16.addItem(spacerItem17)
self.subtabs_sw.addWidget(self.page_8)
self.page_9 = QtWidgets.QWidget()
self.page_9.setObjectName("page_9")
self.verticalLayout_18 = QtWidgets.QVBoxLayout(self.page_9)
self.verticalLayout_18.setObjectName("verticalLayout_18")
self.groupBox_6 = QtWidgets.QGroupBox(self.page_9)
self.groupBox_6.setObjectName("groupBox_6")
self.verticalLayout_17 = QtWidgets.QVBoxLayout(self.groupBox_6)
self.verticalLayout_17.setObjectName("verticalLayout_17")
self.label_39 = QtWidgets.QLabel(self.groupBox_6)
self.label_39.setObjectName("label_39")
self.verticalLayout_17.addWidget(self.label_39)
self.verticalLayout_18.addWidget(self.groupBox_6)
spacerItem18 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_18.addItem(spacerItem18)
self.subtabs_sw.addWidget(self.page_9)
self.page_10 = QtWidgets.QWidget()
self.page_10.setObjectName("page_10")
self.verticalLayout_20 = QtWidgets.QVBoxLayout(self.page_10)
self.verticalLayout_20.setObjectName("verticalLayout_20")
self.groupBox_7 = QtWidgets.QGroupBox(self.page_10)
self.groupBox_7.setObjectName("groupBox_7")
self.verticalLayout_19 = QtWidgets.QVBoxLayout(self.groupBox_7)
self.verticalLayout_19.setObjectName("verticalLayout_19")
self.label_40 = QtWidgets.QLabel(self.groupBox_7)
self.label_40.setObjectName("label_40")
self.verticalLayout_19.addWidget(self.label_40)
self.label_41 = QtWidgets.QLabel(self.groupBox_7)
self.label_41.setObjectName("label_41")
self.verticalLayout_19.addWidget(self.label_41)
self.verticalLayout_20.addWidget(self.groupBox_7)
spacerItem19 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_20.addItem(spacerItem19)
self.subtabs_sw.addWidget(self.page_10)
self.page_11 = QtWidgets.QWidget()
self.page_11.setObjectName("page_11")
self.verticalLayout_29 = QtWidgets.QVBoxLayout(self.page_11)
self.verticalLayout_29.setObjectName("verticalLayout_29")
self.groupBox_12 = QtWidgets.QGroupBox(self.page_11)
self.groupBox_12.setObjectName("groupBox_12")
self.verticalLayout_36 = QtWidgets.QVBoxLayout(self.groupBox_12)
self.verticalLayout_36.setObjectName("verticalLayout_36")
self.verticalLayout_35 = QtWidgets.QVBoxLayout()
self.verticalLayout_35.setObjectName("verticalLayout_35")
self.static_cb = QtWidgets.QCheckBox(self.groupBox_12)
self.static_cb.setChecked(True)
self.static_cb.setObjectName("static_cb")
self.verticalLayout_35.addWidget(self.static_cb)
self.gridLayout_4 = QtWidgets.QGridLayout()
self.gridLayout_4.setContentsMargins(15, -1, -1, -1)
self.gridLayout_4.setObjectName("gridLayout_4")
self.polarizability_property_lbl = QtWidgets.QLabel(self.groupBox_12)
self.polarizability_property_lbl.setObjectName("polarizability_property_lbl")
self.gridLayout_4.addWidget(self.polarizability_property_lbl, 0, 0, 1, 1)
self.polarizability_property_combo = EnhancedComboBox(self.groupBox_12)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.polarizability_property_combo.sizePolicy().hasHeightForWidth())
self.polarizability_property_combo.setSizePolicy(sizePolicy)
self.polarizability_property_combo.setObjectName("polarizability_property_combo")
self.gridLayout_4.addWidget(self.polarizability_property_combo, 0, 1, 1, 1)
spacerItem20 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.gridLayout_4.addItem(spacerItem20, 0, 2, 1, 1)
self.polarizability_field_lbl = QtWidgets.QLabel(self.groupBox_12)
self.polarizability_field_lbl.setEnabled(False)
self.polarizability_field_lbl.setObjectName("polarizability_field_lbl")
self.gridLayout_4.addWidget(self.polarizability_field_lbl, 1, 0, 1, 1)
self.horizontalLayout = QtWidgets.QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
self.polarizability_field_le = QtWidgets.QLineEdit(self.groupBox_12)
self.polarizability_field_le.setEnabled(False)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.polarizability_field_le.sizePolicy().hasHeightForWidth())
self.polarizability_field_le.setSizePolicy(sizePolicy)
self.polarizability_field_le.setMaxLength(12)
self.polarizability_field_le.setObjectName("polarizability_field_le")
self.horizontalLayout.addWidget(self.polarizability_field_le)
self.polarizability_field_units_lbl = QtWidgets.QLabel(self.groupBox_12)
self.polarizability_field_units_lbl.setEnabled(False)
self.polarizability_field_units_lbl.setObjectName("polarizability_field_units_lbl")
self.horizontalLayout.addWidget(self.polarizability_field_units_lbl)
self.gridLayout_4.addLayout(self.horizontalLayout, 1, 1, 1, 1)
self.verticalLayout_35.addLayout(self.gridLayout_4)
self.verticalLayout_36.addLayout(self.verticalLayout_35)
spacerItem21 = QtWidgets.QSpacerItem(20, 10, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Fixed)
self.verticalLayout_36.addItem(spacerItem21)
self.verticalLayout_37 = QtWidgets.QVBoxLayout()
self.verticalLayout_37.setObjectName("verticalLayout_37")
self.dynamic_cb = QtWidgets.QCheckBox(self.groupBox_12)
self.dynamic_cb.setObjectName("dynamic_cb")
self.verticalLayout_37.addWidget(self.dynamic_cb)
self.gridLayout_3 = QtWidgets.QGridLayout()
self.gridLayout_3.setContentsMargins(15, -1, -1, -1)
self.gridLayout_3.setObjectName("gridLayout_3")
spacerItem22 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.gridLayout_3.addItem(spacerItem22, 1, 3, 1, 1)
self.polarizability_freq_type_lbl = QtWidgets.QLabel(self.groupBox_12)
self.polarizability_freq_type_lbl.setEnabled(False)
self.polarizability_freq_type_lbl.setObjectName("polarizability_freq_type_lbl")
self.gridLayout_3.addWidget(self.polarizability_freq_type_lbl, 0, 0, 1, 1)
self.polarizability_opt_rect_rb = QtWidgets.QRadioButton(self.groupBox_12)
self.polarizability_opt_rect_rb.setEnabled(False)
self.polarizability_opt_rect_rb.setObjectName("polarizability_opt_rect_rb")
self.gridLayout_3.addWidget(self.polarizability_opt_rect_rb, 1, 1, 1, 1)
spacerItem23 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.gridLayout_3.addItem(spacerItem23, 0, 3, 1, 1)
self.polarizability_shg_rb = QtWidgets.QRadioButton(self.groupBox_12)
self.polarizability_shg_rb.setEnabled(False)
self.polarizability_shg_rb.setChecked(True)
self.polarizability_shg_rb.setObjectName("polarizability_shg_rb")
self.gridLayout_3.addWidget(self.polarizability_shg_rb, 0, 1, 1, 1)
self.polarizability_freq_lbl = QtWidgets.QLabel(self.groupBox_12)
self.polarizability_freq_lbl.setEnabled(False)
self.polarizability_freq_lbl.setObjectName("polarizability_freq_lbl")
self.gridLayout_3.addWidget(self.polarizability_freq_lbl, 2, 0, 1, 1)
self.horizontalLayout_12 = QtWidgets.QHBoxLayout()
self.horizontalLayout_12.setObjectName("horizontalLayout_12")
self.polarizability_freq_le = QtWidgets.QLineEdit(self.groupBox_12)
self.polarizability_freq_le.setEnabled(False)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.polarizability_freq_le.sizePolicy().hasHeightForWidth())
self.polarizability_freq_le.setSizePolicy(sizePolicy)
self.polarizability_freq_le.setObjectName("polarizability_freq_le")
self.horizontalLayout_12.addWidget(self.polarizability_freq_le)
self.polarizability_freq_units_lbl = QtWidgets.QLabel(self.groupBox_12)
self.polarizability_freq_units_lbl.setEnabled(False)
self.polarizability_freq_units_lbl.setObjectName("polarizability_freq_units_lbl")
self.horizontalLayout_12.addWidget(self.polarizability_freq_units_lbl)
self.gridLayout_3.addLayout(self.horizontalLayout_12, 2, 1, 1, 1)
self.verticalLayout_37.addLayout(self.gridLayout_3)
self.verticalLayout_36.addLayout(self.verticalLayout_37)
self.verticalLayout_29.addWidget(self.groupBox_12)
spacerItem24 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_29.addItem(spacerItem24)
self.subtabs_sw.addWidget(self.page_11)
self.page_12 = QtWidgets.QWidget()
self.page_12.setObjectName("page_12")
self.verticalLayout_22 = QtWidgets.QVBoxLayout(self.page_12)
self.verticalLayout_22.setObjectName("verticalLayout_22")
self.groupBox_8 = QtWidgets.QGroupBox(self.page_12)
self.groupBox_8.setObjectName("groupBox_8")
self.verticalLayout_21 = QtWidgets.QVBoxLayout(self.groupBox_8)
self.verticalLayout_21.setObjectName("verticalLayout_21")
self.label_42 = QtWidgets.QLabel(self.groupBox_8)
self.label_42.setObjectName("label_42")
self.verticalLayout_21.addWidget(self.label_42)
self.verticalLayout_22.addWidget(self.groupBox_8)
spacerItem25 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_22.addItem(spacerItem25)
self.subtabs_sw.addWidget(self.page_12)
self.page_13 = QtWidgets.QWidget()
self.page_13.setObjectName("page_13")
self.verticalLayout_24 = QtWidgets.QVBoxLayout(self.page_13)
self.verticalLayout_24.setObjectName("verticalLayout_24")
self.groupBox_9 = QtWidgets.QGroupBox(self.page_13)
self.groupBox_9.setObjectName("groupBox_9")
self.verticalLayout_23 = QtWidgets.QVBoxLayout(self.groupBox_9)
self.verticalLayout_23.setObjectName("verticalLayout_23")
self.label_43 = QtWidgets.QLabel(self.groupBox_9)
self.label_43.setObjectName("label_43")
self.verticalLayout_23.addWidget(self.label_43)
self.verticalLayout_24.addWidget(self.groupBox_9)
spacerItem26 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_24.addItem(spacerItem26)
self.subtabs_sw.addWidget(self.page_13)
self.page_14 = QtWidgets.QWidget()
self.page_14.setObjectName("page_14")
self.verticalLayout_26 = QtWidgets.QVBoxLayout(self.page_14)
self.verticalLayout_26.setObjectName("verticalLayout_26")
self.groupBox_10 = QtWidgets.QGroupBox(self.page_14)
self.groupBox_10.setObjectName("groupBox_10")
self.verticalLayout_25 = QtWidgets.QVBoxLayout(self.groupBox_10)
self.verticalLayout_25.setObjectName("verticalLayout_25")
self.label_44 = QtWidgets.QLabel(self.groupBox_10)
self.label_44.setObjectName("label_44")
self.verticalLayout_25.addWidget(self.label_44)
self.verticalLayout_26.addWidget(self.groupBox_10)
spacerItem27 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_26.addItem(spacerItem27)
self.subtabs_sw.addWidget(self.page_14)
self.page_15 = QtWidgets.QWidget()
self.page_15.setObjectName("page_15")
self.verticalLayout_28 = QtWidgets.QVBoxLayout(self.page_15)
self.verticalLayout_28.setObjectName("verticalLayout_28")
self.groupBox_11 = QtWidgets.QGroupBox(self.page_15)
self.groupBox_11.setObjectName("groupBox_11")
self.verticalLayout_27 = QtWidgets.QVBoxLayout(self.groupBox_11)
self.verticalLayout_27.setObjectName("verticalLayout_27")
self.label_45 = QtWidgets.QLabel(self.groupBox_11)
self.label_45.setObjectName("label_45")
self.verticalLayout_27.addWidget(self.label_45)
self.verticalLayout_28.addWidget(self.groupBox_11)
spacerItem28 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_28.addItem(spacerItem28)
self.subtabs_sw.addWidget(self.page_15)
self.page_17 = QtWidgets.QWidget()
self.page_17.setObjectName("page_17")
self.verticalLayout_8 = QtWidgets.QVBoxLayout(self.page_17)
self.verticalLayout_8.setObjectName("verticalLayout_8")
self.groupBox_14 = QtWidgets.QGroupBox(self.page_17)
self.groupBox_14.setObjectName("groupBox_14")
self.verticalLayout_32 = QtWidgets.QVBoxLayout(self.groupBox_14)
self.verticalLayout_32.setObjectName("verticalLayout_32")
self.label_48 = QtWidgets.QLabel(self.groupBox_14)
self.label_48.setObjectName("label_48")
self.verticalLayout_32.addWidget(self.label_48)
self.verticalLayout_8.addWidget(self.groupBox_14)
spacerItem29 = QtWidgets.QSpacerItem(20, 447, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_8.addItem(spacerItem29)
self.subtabs_sw.addWidget(self.page_17)
self.page_16 = QtWidgets.QWidget()
self.page_16.setObjectName("page_16")
self.verticalLayout_4 = QtWidgets.QVBoxLayout(self.page_16)
self.verticalLayout_4.setObjectName("verticalLayout_4")
self.groupBox_13 = QtWidgets.QGroupBox(self.page_16)
self.groupBox_13.setObjectName("groupBox_13")
self.verticalLayout_31 = QtWidgets.QVBoxLayout(self.groupBox_13)
self.verticalLayout_31.setObjectName("verticalLayout_31")
self.label_47 = QtWidgets.QLabel(self.groupBox_13)
self.label_47.setObjectName("label_47")
self.verticalLayout_31.addWidget(self.label_47)
self.verticalLayout_4.addWidget(self.groupBox_13)
spacerItem30 = QtWidgets.QSpacerItem(20, 345, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_4.addItem(spacerItem30)
self.subtabs_sw.addWidget(self.page_16)
self.page_18 = QtWidgets.QWidget()
self.page_18.setObjectName("page_18")
self.verticalLayout_34 = QtWidgets.QVBoxLayout(self.page_18)
self.verticalLayout_34.setObjectName("verticalLayout_34")
self.groupBox_15 = QtWidgets.QGroupBox(self.page_18)
self.groupBox_15.setObjectName("groupBox_15")
self.verticalLayout_33 = QtWidgets.QVBoxLayout(self.groupBox_15)
self.verticalLayout_33.setObjectName("verticalLayout_33")
self.gridLayout_2 = QtWidgets.QGridLayout()
self.gridLayout_2.setObjectName("gridLayout_2")
self.atomic_number_sb = QtWidgets.QSpinBox(self.groupBox_15)
self.atomic_number_sb.setButtonSymbols(QtWidgets.QAbstractSpinBox.NoButtons)
self.atomic_number_sb.setMinimum(1)
self.atomic_number_sb.setMaximum(118)
self.atomic_number_sb.setObjectName("atomic_number_sb")
self.gridLayout_2.addWidget(self.atomic_number_sb, 0, 1, 1, 1)
self.nuclear_quadrupole_moment_sb = QtWidgets.QDoubleSpinBox(self.groupBox_15)
self.nuclear_quadrupole_moment_sb.setButtonSymbols(QtWidgets.QAbstractSpinBox.NoButtons)
self.nuclear_quadrupole_moment_sb.setSuffix("")
self.nuclear_quadrupole_moment_sb.setDecimals(5)
self.nuclear_quadrupole_moment_sb.setMinimum(-1e+31)
self.nuclear_quadrupole_moment_sb.setMaximum(1e+31)
self.nuclear_quadrupole_moment_sb.setObjectName("nuclear_quadrupole_moment_sb")
self.gridLayout_2.addWidget(self.nuclear_quadrupole_moment_sb, 1, 1, 1, 1)
self.label_22 = QtWidgets.QLabel(self.groupBox_15)
self.label_22.setObjectName("label_22")
self.gridLayout_2.addWidget(self.label_22, 1, 0, 1, 1)
spacerItem31 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.gridLayout_2.addItem(spacerItem31, 1, 3, 1, 1)
self.label_12 = QtWidgets.QLabel(self.groupBox_15)
self.label_12.setObjectName("label_12")
self.gridLayout_2.addWidget(self.label_12, 0, 0, 1, 1)
spacerItem32 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.gridLayout_2.addItem(spacerItem32, 0, 2, 1, 2)
self.label_23 = QtWidgets.QLabel(self.groupBox_15)
self.label_23.setObjectName("label_23")
self.gridLayout_2.addWidget(self.label_23, 1, 2, 1, 1)
self.verticalLayout_33.addLayout(self.gridLayout_2)
self.verticalLayout_34.addWidget(self.groupBox_15)
spacerItem33 = QtWidgets.QSpacerItem(20, 409, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_34.addItem(spacerItem33)
self.subtabs_sw.addWidget(self.page_18)
self.verticalLayout_30.addWidget(self.subtabs_sw)
self.retranslateUi(Form)
self.subtabs_sw.setCurrentIndex(6)
self.scaling_stacked.setCurrentIndex(0)
self.noncovalent_interactions_cb.toggled['bool'].connect(self.noncovalent_grid_density_frame.setEnabled)
self.electron_densities_cb.toggled['bool'].connect(self.electron_densities_frame.setEnabled)
self.esp_grid_rect_rb.toggled['bool'].connect(self.spacing_lbl.setEnabled)
self.esp_grid_rect_rb.toggled['bool'].connect(self.spacing_le.setEnabled)
self.average_ionization_energy_cb.toggled['bool'].connect(self.energy_units_frame.setEnabled)
self.scaling_combo.currentIndexChanged['int'].connect(self.scaling_stacked.setCurrentIndex)
QtCore.QMetaObject.connectSlotsByName(Form)
[docs] def retranslateUi(self, Form):
_translate = QtCore.QCoreApplication.translate
Form.setWindowTitle(_translate("Form", "Form"))
self.label.setText(_translate("Form", "Properties: (select to edit options)"))
item = self.properties_tablew.verticalHeaderItem(0)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(1)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(2)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(3)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(4)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(5)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(6)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(7)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(8)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(9)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(10)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(11)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(12)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.verticalHeaderItem(13)
item.setText(_translate("Form", "New Row"))
item = self.properties_tablew.horizontalHeaderItem(0)
item.setText(_translate("Form", "Calculate"))
item = self.properties_tablew.horizontalHeaderItem(1)
item.setText(_translate("Form", "Property"))
__sortingEnabled = self.properties_tablew.isSortingEnabled()
self.properties_tablew.setSortingEnabled(False)
item = self.properties_tablew.item(0, 1)
item.setText(_translate("Form", "Vibrational frequencies"))
item = self.properties_tablew.item(1, 1)
item.setText(_translate("Form", "Surfaces (MO, density, potential)"))
item = self.properties_tablew.item(2, 1)
item.setText(_translate("Form", "Atomic electrostatic potential charges (ESP)"))
item = self.properties_tablew.item(3, 1)
item.setText(_translate("Form", "Mulliken populations"))
item = self.properties_tablew.item(4, 1)
item.setText(_translate("Form", "NBO analysis"))
item = self.properties_tablew.item(5, 1)
item.setText(_translate("Form", "Multipole moments"))
item = self.properties_tablew.item(6, 1)
item.setText(_translate("Form", "Polarizability and hyperpolarizability"))
item = self.properties_tablew.item(7, 1)
item.setText(_translate("Form", "NMR shielding constants"))
item = self.properties_tablew.item(8, 1)
item.setText(_translate("Form", "Atomic Fukui indices"))
item = self.properties_tablew.item(9, 1)
item.setText(_translate("Form", "Stockholder charges"))
item = self.properties_tablew.item(10, 1)
item.setText(_translate("Form", "Vibrational circular dichroism"))
item = self.properties_tablew.item(11, 1)
item.setText(_translate("Form", "Electronic circular dichroism"))
item = self.properties_tablew.item(12, 1)
item.setText(_translate("Form", "Raman spectroscopy"))
item = self.properties_tablew.item(13, 1)
item.setText(_translate("Form", "Mössbauer spectroscopy"))
self.properties_tablew.setSortingEnabled(__sortingEnabled)
self.groupBox.setTitle(_translate("Form", "Vibrational frequencies"))
self.use_hessian_cb.setText(_translate("Form", "Use available Hessian"))
self.ir_intensities_cb.setText(_translate("Form", "IR Intensities"))
self.label_2.setText(_translate("Form", "Atomic masses:"))
self.label_3.setText(_translate("Form", "Scaling:"))
self.scaling_combo.setItemText(0, _translate("Form", "None"))
self.scaling_combo.setItemText(1, _translate("Form", "Pulay SQM"))
self.scaling_combo.setItemText(2, _translate("Form", "Automatic"))
self.scaling_combo.setItemText(3, _translate("Form", "Custom:"))
self.groupBox_2.setTitle(_translate("Form", "Thermochemistry"))
self.label_4.setText(_translate("Form", "Pressure:"))
self.label_8.setText(_translate("Form", "Start temperature:"))
self.label_9.setText(_translate("Form", "Increment:"))
self.label_10.setText(_translate("Form", "Number of steps:"))
self.pressure_le.setText(_translate("Form", "1.0"))
self.label_5.setText(_translate("Form", "atm"))
self.start_temp_le.setText(_translate("Form", "298.15"))
self.label_6.setText(_translate("Form", "K"))
self.increment_le.setText(_translate("Form", "10.0"))
self.label_7.setText(_translate("Form", "K"))
self.label_11.setText(_translate("Form", "Output units:"))
self.output_kcal_rb.setText(_translate("Form", "kcal/mol"))
self.output_kj_rb.setText(_translate("Form", "kJ/mol"))
self.groupBox_3.setTitle(_translate("Form", "Surfaces"))
self.electrostatic_potential_cb.setText(_translate("Form", "Electrostatic potential"))
self.box_size_adjustment_le.setText(_translate("Form", "Box size adjustment:"))
self.box_size_adjust_le.setText(_translate("Form", "0.0"))
self.label_13.setText(_translate("Form", "Å/side"))
self.average_ionization_energy_cb.setText(_translate("Form", "Average local ionization energy"))
self.label_14.setText(_translate("Form", "Grid density:"))
self.grid_density_le.setText(_translate("Form", "5.0"))
self.label_15.setText(_translate("Form", "pts/Å"))
self.label_16.setText(_translate("Form", "Energy units:"))
self.noncovalent_interactions_cb.setText(_translate("Form", "Noncovalent interactions"))
self.label_17.setText(_translate("Form", "Noncovalent grid density:"))
self.noncovalent_grid_density_le.setText(_translate("Form", "20.0"))
self.label_18.setText(_translate("Form", "pts/Å"))
self.electron_densities_cb.setText(_translate("Form", "Electron densities:"))
self.density_only_rb.setText(_translate("Form", "Density only"))
self.density_and_diff_rb.setText(_translate("Form", "Density and density difference"))
self.spin_density_cb.setText(_translate("Form", "Spin density"))
self.molecular_orbitals_cb.setText(_translate("Form", "Molecular orbitals:"))
self.label_19.setText(_translate("Form", "Alpha:"))
self.label_20.setText(_translate("Form", "From:"))
self.label_21.setText(_translate("Form", "to: "))
self.alpha_lbl.setText(_translate("Form", "Total number of orbitals:"))
self.label_31.setText(_translate("Form", "Beta:"))
self.label_32.setText(_translate("Form", "From:"))
self.label_33.setText(_translate("Form", "to: "))
self.beta_lbl.setText(_translate("Form", "Total number of orbitals:"))
self.nto_for_tddft_cb.setToolTip(_translate("Form", "Include Natural Transition Orbital eigenvectors in output for visualization. Only valid with TDDFT enabled on Theory tab."))
self.nto_for_tddft_cb.setText(_translate("Form", "NTO for excited states (TDDFT only)"))
self.groupBox_4.setTitle(_translate("Form", "Electrostatic potential charges (ESP)"))
self.label_35.setText(_translate("Form", "Fit ESP to:"))
self.label_36.setText(_translate("Form", "Constraints:"))
self.label_37.setText(_translate("Form", "Grid type:"))
self.esp_grid_sphere_rb.setText(_translate("Form", "Spherical"))
self.esp_grid_rect_rb.setText(_translate("Form", "Rectangular, spacing = "))
self.spacing_le.setText(_translate("Form", "0.75"))
self.spacing_lbl.setText(_translate("Form", "bohr"))
self.groupBox_5.setTitle(_translate("Form", "Mulliken populations"))
self.label_38.setText(_translate("Form", "Method:"))
self.mulliken_by_atom_rb.setText(_translate("Form", "By atom"))
self.mulliken_by_atom_and_basis_rb.setText(_translate("Form", "By atom and basis function"))
self.mulliken_bond_populations_rb.setText(_translate("Form", "Bond populations"))
self.groupBox_6.setTitle(_translate("Form", "NBO analysis"))
self.label_39.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_7.setTitle(_translate("Form", "Mutipole moments"))
self.label_40.setText(_translate("Form", "[ No options for this property ]"))
self.label_41.setText(_translate("Form", "Dipole, quadrupole, octupole, and hexadecapole moments will be calculated."))
self.groupBox_12.setTitle(_translate("Form", "Polarizability/hyperpolarizability"))
self.static_cb.setText(_translate("Form", "Static"))
self.polarizability_property_lbl.setText(_translate("Form", "Property / Method:"))
self.polarizability_field_lbl.setText(_translate("Form", "Finite field:"))
self.polarizability_field_le.setText(_translate("Form", "0.024"))
self.polarizability_field_units_lbl.setText(_translate("Form", "atomic units"))
self.dynamic_cb.setText(_translate("Form", "Dynamic alpha, beta"))
self.polarizability_freq_type_lbl.setText(_translate("Form", "Type:"))
self.polarizability_opt_rect_rb.setText(_translate("Form", "Optical Rectification (OR)"))
self.polarizability_shg_rb.setText(_translate("Form", "Second Harmonic Generation (SHG)"))
self.polarizability_freq_lbl.setText(_translate("Form", "Frequency:"))
self.polarizability_freq_le.setText(_translate("Form", "1.78574"))
self.polarizability_freq_units_lbl.setText(_translate("Form", "eV"))
self.groupBox_8.setTitle(_translate("Form", "NMR shielding constants"))
self.label_42.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_9.setTitle(_translate("Form", "Atomic Fukui indices"))
self.label_43.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_10.setTitle(_translate("Form", "Stockholder charges"))
self.label_44.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_11.setTitle(_translate("Form", "Vibrational circular dichroism"))
self.label_45.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_14.setTitle(_translate("Form", "Electronic circular dichroism"))
self.label_48.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_13.setTitle(_translate("Form", "Raman spectroscopy"))
self.label_47.setText(_translate("Form", "[ No options for this property ]"))
self.groupBox_15.setTitle(_translate("Form", "Mössbauer"))
self.label_22.setText(_translate("Form", "Nuclear quadrupole moment: "))
self.label_12.setText(_translate("Form", "Atomic number:"))
self.label_23.setText(_translate("Form", " barn"))
from ..utils import EnhancedComboBox, PropertiesTableWidget