from PyQt5.QtWidgets import QMessageBox, QStyle from PyQt5.QtCore import pyqtSignal, Qt from gui.widgets.parameters import * from gui.utils import get_unique_name class ModelSelectWidget(QWidget): """ Widget for selecting and setting up models. The user can select the model category, the desired EOS, set specific model options and edit interaction (and other) parameters. Depending on the selcted model, different choices for EOS, model options and parameters are displayed. The different choices are stored in QStackWidgets, each with its own index shown below. When the user changes the model category, the correct widgets in the different stacks are shown. EOS stack: 0: Empty 1: PR + SRK Options stack: 0: Empty 1: Cubic (or CPA) 2: SAFT-VRI Mie Coeff stack: 0: Empty 1: VdW 2: HV1 3: HV2 4: PC-SAFT 5: SAFT-VR Mie """ def __init__(self, data, name=None, parent=None): QWidget.__init__(self, parent) loadUi("gui/layouts/model_select_widget.ui", self) self.data = data if name: self.name = name self.init_bin_coeff_widgets() self.populate_widget() else: self.name = get_unique_name("Model setup", self.data["Model setups"].keys()) self.name_edit.setPlaceholderText(self.name) self.data_init() self.init_bin_coeff_widgets() self.model_category_list.currentItemChanged.connect(self.category_selected) self.delete_btn.setIcon(self.style().standardIcon(getattr(QStyle, 'SP_DialogCancelButton'))) self.delete_btn.clicked.connect(lambda: self.model_setup_deleted.emit(self.name)) # Cubic Action handling self.cubic_eos_list.currentItemChanged.connect(self.change_cubic_eos) self.cubic_alpha_corr.currentTextChanged.connect(self.change_cubic_alpha_corr) self.cubic_mix_rule.currentTextChanged.connect(self.change_cubic_mix_rule) self.cubic_vol_trans.currentTextChanged.connect(self.change_cubic_vol_trans) self.cubic_ref.currentTextChanged.connect(self.change_cubic_ref) # SAFT-VR Mie Action handling self.saftvrmie_hard_sphere.clicked.connect(self.toggle_hard_sphere) self.saftvrmie_a1.clicked.connect(self.toggle_a1) self.saftvrmie_a2.clicked.connect(self.toggle_a2) self.saftvrmie_a3.clicked.connect(self.toggle_a3) self.saftvrmie_chain.clicked.connect(self.toggle_chain) self.tabs.currentChanged.connect(self.show_correct_tab) self.name_edit.editingFinished.connect(self.change_name) model_name_changed = pyqtSignal(str, bool, str) model_setup_deleted = pyqtSignal(str) def populate_widget(self): """ Sets the widget with the correct settings for an existing model setup. The correct widgets in the different stacks are shown. """ self.name_edit.setText(self.name) model_category = self.data["Model setups"][self.name]["Model category"] self.model_category_list.setCurrentItem(self.model_category_list.findItems(model_category, Qt.MatchExactly)[0]) if model_category == "Cubic" or model_category == "CPA": self.eos_stack.setCurrentIndex(1) self.options_stack.setCurrentIndex(1) eos = self.data["Model setups"][self.name]["EOS"] alpha_corr = self.data["Model setups"][self.name]["Model options"]["Alpha correlation"] mixing_rule = self.data["Model setups"][self.name]["Model options"]["Mixing rule"] vol_trans = self.data["Model setups"][self.name]["Model options"]["Volume translation"] ref = self.data["Model setups"][self.name]["Model options"]["Reference"] self.cubic_eos_list.setCurrentItem(self.cubic_eos_list.findItems(eos, Qt.MatchExactly)[0]) self.cubic_alpha_corr.setCurrentIndex(self.cubic_alpha_corr.findText(alpha_corr)) self.cubic_mix_rule.setCurrentIndex(self.cubic_mix_rule.findText(mixing_rule)) self.cubic_vol_trans.setCurrentIndex(self.cubic_vol_trans.findText(vol_trans)) self.cubic_ref.setCurrentIndex(self.cubic_ref.findText(ref)) elif model_category == "PC-SAFT": self.eos_stack.setCurrentIndex(0) self.options_stack.setCurrentIndex(0) elif model_category == "SAFT-VR Mie": self.eos_stack.setCurrentIndex(0) self.options_stack.setCurrentIndex(2) a1 = self.data["Model setups"][self.name]["Model options"]["A1"] a2 = self.data["Model setups"][self.name]["Model options"]["A2"] a3 = self.data["Model setups"][self.name]["Model options"]["A3"] hard_sphere = self.data["Model setups"][self.name]["Model options"]["Hard sphere"] chain = self.data["Model setups"][self.name]["Model options"]["Chain"] ref = self.data["Model setups"][self.name]["Model options"]["Reference"] self.saftvrmie_a1.setChecked(a1) self.saftvrmie_a2.setChecked(a2) self.saftvrmie_a3.setChecked(a3) self.saftvrmie_hard_sphere.setChecked(hard_sphere) self.saftvrmie_chain.setChecked(chain) self.saftvrmie_ref.setCurrentIndex(self.saftvrmie_ref.findText(ref)) self.show_correct_coeff_widget() def init_bin_coeff_widgets(self): """ Sets up widgets for editing parameters and storing their indices, so that the correct widget easily can be shown when the model category or mixing rule changes """ # Set binary coefficient widgets self.vdw_index = self.coeff_stack.addWidget(VdWParametersWidget(self.data, self.name)) self.hv1_index = self.coeff_stack.addWidget(HV1ParametersWidget(self.data, self.name)) self.hv2_index = self.coeff_stack.addWidget(HV2ParametersWidget(self.data, self.name)) self.cpa_index = self.coeff_stack.addWidget(CPAParametersWidget(self.data, self.name)) self.pcsaft_index = self.coeff_stack.addWidget(PCSAFTParametersWidget(self.data, self.name)) self.saftvrmie_index = self.coeff_stack.addWidget(SAFTVRMieParametersWidget(self.data, self.name)) self.show_correct_coeff_widget() def data_init(self, category="Cubic"): """ Sets the session data to default depending on chosen model category if this is a new model setup :param category: Name of the model category (Cubic, CPA, PC-SAFT, SAFT_VR Mie) """ if category == "Cubic" or category == "CPA": self.data["Model setups"][self.name] = { "EOS": "PR", "Model category": category, "Model options": { "Alpha correlation": "Classic", "Mixing rule": "vdW", "Reference": "Default", "Volume translation": "None" }, "Parameters": {} } elif category == "PC-SAFT": self.data["Model setups"][self.name] = { "Model category": category, "Model options": { "Reference": "Default" }, "Parameters": {} } elif category == "SAFT-VR Mie": self.data["Model setups"][self.name] = { "Model options": { "Hard sphere": True, "A1": True, "A2": True, "A3": True, "Chain": True, "Reference": "Default" }, "Parameters": {} } def show_correct_coeff_widget(self): """ Shows the correct widget for editing interaction (and other) parameters """ category = self.data["Model setups"][self.name]["Model category"] if category == "Cubic": mixing_rule = self.data["Model setups"][self.name]["Model options"]["Mixing rule"] if mixing_rule == "vdW": index = self.vdw_index elif mixing_rule == "HV1": index = self.hv1_index elif mixing_rule == "HV2": index = self.hv2_index else: self.coeff_stack.setCurrentIndex(0) return elif category == "CPA": index = self.cpa_index elif category == "PC-SAFT": index = self.pcsaft_index elif category == "SAFT-VR Mie": index = self.saftvrmie_index else: index = None if index: self.coeff_stack.setCurrentIndex(index) def category_selected(self, category_item): """ Shows the correct widgets in the different stacks when a model category is chosen. :param category_item: Chosen model category item """ category = category_item.text() if not self.data["Model setups"][self.name]["Model category"]: self.data_init(category) self.data["Model setups"][self.name]["Model category"] = category if category == "Cubic" or category == "CPA": self.eos_stack.setCurrentIndex(1) self.options_stack.setCurrentIndex(1) # Store default choices self.change_cubic_eos(self.cubic_eos_list.currentItem()) self.change_cubic_alpha_corr(self.cubic_alpha_corr.currentText()) self.change_cubic_mix_rule(self.cubic_mix_rule.currentText()) self.change_cubic_vol_trans(self.cubic_vol_trans.currentText()) self.change_cubic_ref(self.cubic_ref.currentText()) elif category == "PC-SAFT": self.eos_stack.setCurrentIndex(0) self.options_stack.setCurrentIndex(0) elif category == "SAFT-VR Mie": self.eos_stack.setCurrentIndex(0) self.options_stack.setCurrentIndex(2) self.toggle_a1(self.saftvrmie_a1.isChecked()) self.toggle_a2(self.saftvrmie_a2.isChecked()) self.toggle_a3(self.saftvrmie_a3.isChecked()) self.toggle_hard_sphere(self.saftvrmie_hard_sphere.isChecked()) self.toggle_chain(self.saftvrmie_chain.isChecked()) self.change_saftvrmie_ref(self.saftvrmie_ref.currentText()) else: pass self.show_correct_coeff_widget() # Handling changes in cubic model options def change_cubic_eos(self, eos_item): self.data["Model setups"][self.name]["EOS"] = eos_item.text() def change_cubic_alpha_corr(self, alpha_corr): self.data["Model setups"][self.name]["Model options"]["Alpha correlation"] = alpha_corr def change_cubic_mix_rule(self, mixing_rule): self.data["Model setups"][self.name]["Model options"]["Mixing rule"] = mixing_rule self.show_correct_coeff_widget() def change_cubic_vol_trans(self, vol_trans): self.data["Model setups"][self.name]["Model options"]["Volume translation"] = vol_trans def change_cubic_ref(self, ref): self.data["Model setups"][self.name]["Model options"]["Reference"] = ref # Handling changes in SAFT-VR Mie options def toggle_hard_sphere(self, is_checked): self.data["Model setups"][self.name]["Model options"]["Hard sphere"] = is_checked def toggle_a1(self, is_checked): self.data["Model setups"][self.name]["Model options"]["A1"] = is_checked def toggle_a2(self, is_checked): self.data["Model setups"][self.name]["Model options"]["A2"] = is_checked def toggle_a3(self, is_checked): self.data["Model setups"][self.name]["Model options"]["A3"] = is_checked def toggle_chain(self, is_checked): self.data["Model setups"][self.name]["Model options"]["Chain"] = is_checked def change_saftvrmie_ref(self, ref): self.data["Model setups"][self.name]["Model options"]["Reference"] = ref def show_correct_tab(self, index): """ When the 'Parameters' tab is chosen, the current coefficient widget is initiated :param index: Index of the clicked tab """ if index >= 0: if self.tabs.tabText(index) == "Parameters": self.coeff_stack.currentWidget().init_widget(self.data, self.name) def change_name(self): """ Changes the name of the current model setup if the name is available """ new_name = self.name_edit.text() self.name_edit.blockSignals(True) self.name_edit.clearFocus() self.name_edit.blockSignals(False) if new_name in self.data["Model setups"] and new_name != self.name: msg = SettingsExistMsg(new_name) msg.exec_() self.name_edit.undo() else: self.data["Model setups"][new_name] = self.data["Model setups"].pop(self.name) old_name = self.name self.name = new_name self.model_name_changed.emit(new_name, False, old_name) class SettingsExistMsg(QMessageBox): """ Showed when the user tries to save a model setup with the name of another model setup """ def __init__(self, name): QMessageBox.__init__(self) self.setWindowTitle("Oups!") self.setText("%s already exists." % name) self.setIcon(QMessageBox.Information) self.setStandardButtons(QMessageBox.Close) self.setDefaultButton(QMessageBox.Ignore)