Source code for schrodinger.application.jaguar.gui.ui.theory_tab_ui
# -*- coding: utf-8 -*-
# Form implementation generated from reading ui file '/scr/buildbot/src/mmshare/python/modules/schrodinger/application/jaguar/gui/ui/theory_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(1440, 830)
self.verticalLayout_6 = QtWidgets.QVBoxLayout(Form)
self.verticalLayout_6.setObjectName("verticalLayout_6")
self.horizontalLayout = QtWidgets.QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
self.theory_lbl = QtWidgets.QLabel(Form)
self.theory_lbl.setObjectName("theory_lbl")
self.horizontalLayout.addWidget(self.theory_lbl)
self.theory_combo = SComboBox(Form)
self.theory_combo.setObjectName("theory_combo")
self.horizontalLayout.addWidget(self.theory_combo)
spacerItem = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout.addItem(spacerItem)
self.verticalLayout_6.addLayout(self.horizontalLayout)
self.theory_stacked = QtWidgets.QStackedWidget(Form)
self.theory_stacked.setObjectName("theory_stacked")
self.dft_page = QtWidgets.QWidget()
self.dft_page.setObjectName("dft_page")
self.verticalLayout_7 = QtWidgets.QVBoxLayout(self.dft_page)
self.verticalLayout_7.setObjectName("verticalLayout_7")
self.dft_groupbox = QtWidgets.QGroupBox(self.dft_page)
self.dft_groupbox.setObjectName("dft_groupbox")
self.dft_group_layout = QtWidgets.QVBoxLayout(self.dft_groupbox)
self.dft_group_layout.setObjectName("dft_group_layout")
self.dft_spin_widget = SpinTreatmentWidget(self.dft_groupbox)
self.dft_spin_widget.setObjectName("dft_spin_widget")
self.dft_group_layout.addWidget(self.dft_spin_widget)
self.dft_excited_state_widget = ExcitedStateWidget(self.dft_groupbox)
self.dft_excited_state_widget.setObjectName("dft_excited_state_widget")
self.dft_group_layout.addWidget(self.dft_excited_state_widget)
self.horizontalLayout_3 = QtWidgets.QHBoxLayout()
self.horizontalLayout_3.setObjectName("horizontalLayout_3")
self.dft_grid_density_lbl = QtWidgets.QLabel(self.dft_groupbox)
self.dft_grid_density_lbl.setObjectName("dft_grid_density_lbl")
self.horizontalLayout_3.addWidget(self.dft_grid_density_lbl)
self.dft_grid_density_combo = EnhancedComboBox(self.dft_groupbox)
self.dft_grid_density_combo.setObjectName("dft_grid_density_combo")
self.horizontalLayout_3.addWidget(self.dft_grid_density_combo)
spacerItem1 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_3.addItem(spacerItem1)
self.dft_group_layout.addLayout(self.horizontalLayout_3)
self.use_three_body_cb = QtWidgets.QCheckBox(self.dft_groupbox)
self.use_three_body_cb.setObjectName("use_three_body_cb")
self.dft_group_layout.addWidget(self.use_three_body_cb)
self.verticalLayout = QtWidgets.QVBoxLayout()
self.verticalLayout.setObjectName("verticalLayout")
self.dft_recommended_layout = QtWidgets.QHBoxLayout()
self.dft_recommended_layout.setObjectName("dft_recommended_layout")
spacerItem2 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.dft_recommended_layout.addItem(spacerItem2)
self.verticalLayout.addLayout(self.dft_recommended_layout)
self.dft_other_layout = QtWidgets.QHBoxLayout()
self.dft_other_layout.setObjectName("dft_other_layout")
spacerItem3 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.dft_other_layout.addItem(spacerItem3)
self.verticalLayout.addLayout(self.dft_other_layout)
self.dft_group_layout.addLayout(self.verticalLayout)
self.verticalLayout_7.addWidget(self.dft_groupbox)
spacerItem4 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_7.addItem(spacerItem4)
self.theory_stacked.addWidget(self.dft_page)
self.hf_page = QtWidgets.QWidget()
self.hf_page.setObjectName("hf_page")
self.verticalLayout_8 = QtWidgets.QVBoxLayout(self.hf_page)
self.verticalLayout_8.setObjectName("verticalLayout_8")
self.groupBox_2 = QtWidgets.QGroupBox(self.hf_page)
self.groupBox_2.setObjectName("groupBox_2")
self.verticalLayout_4 = QtWidgets.QVBoxLayout(self.groupBox_2)
self.verticalLayout_4.setObjectName("verticalLayout_4")
self.hf_spin_widget = SpinTreatmentWidget(self.groupBox_2)
self.hf_spin_widget.setObjectName("hf_spin_widget")
self.verticalLayout_4.addWidget(self.hf_spin_widget)
self.hf_excited_state_widget = HFExcitedStateWidget(self.groupBox_2)
self.hf_excited_state_widget.setObjectName("hf_excited_state_widget")
self.verticalLayout_4.addWidget(self.hf_excited_state_widget)
spacerItem5 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_4.addItem(spacerItem5)
self.verticalLayout_8.addWidget(self.groupBox_2)
spacerItem6 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_8.addItem(spacerItem6)
self.theory_stacked.addWidget(self.hf_page)
self.lmp_page = QtWidgets.QWidget()
self.lmp_page.setObjectName("lmp_page")
self.verticalLayout_9 = QtWidgets.QVBoxLayout(self.lmp_page)
self.verticalLayout_9.setObjectName("verticalLayout_9")
self.groupBox_3 = QtWidgets.QGroupBox(self.lmp_page)
self.groupBox_3.setObjectName("groupBox_3")
self.verticalLayout_5 = QtWidgets.QVBoxLayout(self.groupBox_3)
self.verticalLayout_5.setObjectName("verticalLayout_5")
self.lmp_layout = QtWidgets.QHBoxLayout()
self.lmp_layout.setObjectName("lmp_layout")
self.formLayout_3 = QtWidgets.QFormLayout()
self.formLayout_3.setObjectName("formLayout_3")
self.core_localization_lbl = QtWidgets.QLabel(self.groupBox_3)
self.core_localization_lbl.setObjectName("core_localization_lbl")
self.formLayout_3.setWidget(0, QtWidgets.QFormLayout.LabelRole, self.core_localization_lbl)
self.valence_localization_lbl = QtWidgets.QLabel(self.groupBox_3)
self.valence_localization_lbl.setObjectName("valence_localization_lbl")
self.formLayout_3.setWidget(1, QtWidgets.QFormLayout.LabelRole, self.valence_localization_lbl)
self.resonance_lbl = QtWidgets.QLabel(self.groupBox_3)
self.resonance_lbl.setObjectName("resonance_lbl")
self.formLayout_3.setWidget(2, QtWidgets.QFormLayout.LabelRole, self.resonance_lbl)
self.lmp2_core_loc_combo = EnhancedComboBox(self.groupBox_3)
self.lmp2_core_loc_combo.setObjectName("lmp2_core_loc_combo")
self.formLayout_3.setWidget(0, QtWidgets.QFormLayout.FieldRole, self.lmp2_core_loc_combo)
self.lmp2_resonance_combo = EnhancedComboBox(self.groupBox_3)
self.lmp2_resonance_combo.setObjectName("lmp2_resonance_combo")
self.formLayout_3.setWidget(2, QtWidgets.QFormLayout.FieldRole, self.lmp2_resonance_combo)
self.lmp2_valence_loc_combo = EnhancedComboBox(self.groupBox_3)
self.lmp2_valence_loc_combo.setObjectName("lmp2_valence_loc_combo")
self.formLayout_3.setWidget(1, QtWidgets.QFormLayout.FieldRole, self.lmp2_valence_loc_combo)
self.lmp_layout.addLayout(self.formLayout_3)
spacerItem7 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.lmp_layout.addItem(spacerItem7)
self.verticalLayout_5.addLayout(self.lmp_layout)
self.lmp_pairs_label = QtWidgets.QLabel(self.groupBox_3)
self.lmp_pairs_label.setObjectName("lmp_pairs_label")
self.verticalLayout_5.addWidget(self.lmp_pairs_label)
self.lmp_pairs_layout = QtWidgets.QHBoxLayout()
self.lmp_pairs_layout.setContentsMargins(15, -1, -1, -1)
self.lmp_pairs_layout.setObjectName("lmp_pairs_layout")
self.lmp2_all_atoms_rb = QtWidgets.QRadioButton(self.groupBox_3)
self.lmp2_all_atoms_rb.setChecked(True)
self.lmp2_all_atoms_rb.setObjectName("lmp2_all_atoms_rb")
self.lmp_pairs_layout.addWidget(self.lmp2_all_atoms_rb)
self.lmp2_hetero_atoms_rb = QtWidgets.QRadioButton(self.groupBox_3)
self.lmp2_hetero_atoms_rb.setObjectName("lmp2_hetero_atoms_rb")
self.lmp_pairs_layout.addWidget(self.lmp2_hetero_atoms_rb)
spacerItem8 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.lmp_pairs_layout.addItem(spacerItem8)
self.verticalLayout_5.addLayout(self.lmp_pairs_layout)
self.verticalLayout_9.addWidget(self.groupBox_3)
spacerItem9 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_9.addItem(spacerItem9)
self.theory_stacked.addWidget(self.lmp_page)
self.rimp2_page = QtWidgets.QWidget()
self.rimp2_page.setObjectName("rimp2_page")
self.verticalLayout_3 = QtWidgets.QVBoxLayout(self.rimp2_page)
self.verticalLayout_3.setObjectName("verticalLayout_3")
self.groupBox = QtWidgets.QGroupBox(self.rimp2_page)
self.groupBox.setObjectName("groupBox")
self.verticalLayout_2 = QtWidgets.QVBoxLayout(self.groupBox)
self.verticalLayout_2.setObjectName("verticalLayout_2")
self.freeze_core_cb = QtWidgets.QCheckBox(self.groupBox)
self.freeze_core_cb.setChecked(True)
self.freeze_core_cb.setObjectName("freeze_core_cb")
self.verticalLayout_2.addWidget(self.freeze_core_cb)
spacerItem10 = QtWidgets.QSpacerItem(20, 264, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_2.addItem(spacerItem10)
self.verticalLayout_3.addWidget(self.groupBox)
self.theory_stacked.addWidget(self.rimp2_page)
self.verticalLayout_6.addWidget(self.theory_stacked)
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
self.horizontalLayout_2.setObjectName("horizontalLayout_2")
self.label = QtWidgets.QLabel(Form)
self.label.setObjectName("label")
self.horizontalLayout_2.addWidget(self.label)
self.dft_hamiltonian_combo = EnhancedComboBox(Form)
self.dft_hamiltonian_combo.setObjectName("dft_hamiltonian_combo")
self.horizontalLayout_2.addWidget(self.dft_hamiltonian_combo)
self.hf_hamiltonian_combo = EnhancedComboBox(Form)
self.hf_hamiltonian_combo.setObjectName("hf_hamiltonian_combo")
self.horizontalLayout_2.addWidget(self.hf_hamiltonian_combo)
spacerItem11 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_2.addItem(spacerItem11)
self.verticalLayout_6.addLayout(self.horizontalLayout_2)
spacerItem12 = QtWidgets.QSpacerItem(20, 0, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
self.verticalLayout_6.addItem(spacerItem12)
self.retranslateUi(Form)
self.theory_stacked.setCurrentIndex(0)
self.dft_grid_density_combo.setCurrentIndex(-1)
self.theory_combo.currentIndexChanged['int'].connect(self.theory_stacked.setCurrentIndex)
QtCore.QMetaObject.connectSlotsByName(Form)
[docs] def retranslateUi(self, Form):
_translate = QtCore.QCoreApplication.translate
Form.setWindowTitle(_translate("Form", "Form"))
self.theory_lbl.setText(_translate("Form", "Theory settings for:"))
self.dft_groupbox.setTitle(_translate("Form", "DFT"))
self.dft_grid_density_lbl.setText(_translate("Form", "Grid density:"))
self.use_three_body_cb.setText(_translate("Form", "Use 3-body dispersion correction with all applicable dispersion-corrected functionals"))
self.groupBox_2.setTitle(_translate("Form", "HF"))
self.groupBox_3.setTitle(_translate("Form", "LMP2"))
self.core_localization_lbl.setText(_translate("Form", "Core localization method:"))
self.valence_localization_lbl.setText(_translate("Form", "Valence localization method:"))
self.resonance_lbl.setText(_translate("Form", "Resonance:"))
self.lmp_pairs_label.setText(_translate("Form", "LMP2 Pairs:"))
self.lmp2_all_atoms_rb.setText(_translate("Form", "All atom pairs"))
self.lmp2_hetero_atoms_rb.setText(_translate("Form", "Hetero atom pairs"))
self.groupBox.setTitle(_translate("Form", "RI-MP2"))
self.freeze_core_cb.setText(_translate("Form", "Freeze core"))
self.label.setText(_translate("Form", "Hamiltonian:"))
from ..theory_tab_widgets import ExcitedStateWidget, HFExcitedStateWidget, SpinTreatmentWidget
from ..utils import EnhancedComboBox
from schrodinger.ui.qt.swidgets import SComboBox