from PyQt5.QtWidgets import QMainWindow, QRadioButton, QButtonGroup, QCheckBox, QLineEdit, QLabel, \ QFileDialog, QActionGroup from PyQt5.QtGui import QIcon, QKeySequence from PyQt5.uic import loadUi from matplotlib.backends.backend_qt5agg import NavigationToolbar2QT from gui.widgets.mpl_canvas import MplCanvas from gui.widgets.plot_mode_options import PhaseEnvelopeOptionsWindow, BinaryPXYOptionsWindow, PRhoOptionsWindow, \ GlobalBinaryOptionsWindow from gui.utils import get_thermopack, init_thermopack, save_json_data, FloatValidator, MessageBox import numpy as np import os class PlotMode(QMainWindow): """ A_matr window where different types of (matplotlib) plots can be shown for a given composition and model setup. The user may change initial parameters for the calculations and specify some plotting preferences. When a plot is generated, the user may download a csv file containing the x and y data for each plotted line """ def __init__(self, data, json_file, component_list_name, model_settings_name, parent=None): super().__init__(parent=parent) loadUi("gui/layouts/plot_mode.ui", self) self.setWindowTitle("Thermopack - Plot Mode") self.showMaximized() self.data = data self.json_file = json_file self.component_data = self.data["Component lists"][component_list_name] self.comp_list_name = component_list_name self.settings = self.data["Model setups"][model_settings_name] self.units = self.data["Units"] self.set_toolbar() if self.data["Plotting preferences"]: self.plotting_preferences = self.data["Plotting preferences"] else: self.plotting_preferences = self.init_plotting_preferences() self.data["Plotting preferences"] = self.plotting_preferences # In case the user wants to reset settings self.default_plotting_preferences = self.init_plotting_preferences() self.redraw = True self.redraw_checkbox.setChecked(self.redraw) self.init_plot_modes() self.model_btn_group = QButtonGroup(parent=self.model_box) self.init_model_options() self.init_fractions() # Initiating thermopack self.tp = get_thermopack(category=self.settings["Model category"]) # Init function depends on settings init_thermopack(self.tp, self.component_data, self.comp_list_name, self.settings) self.ph_env_toolbtn.clicked.connect(self.show_ph_env_options) self.bin_pxy_toolbtn.clicked.connect(self.show_bin_pxy_options) self.p_rho_toolbtn.clicked.connect(self.show_p_rho_options) self.global_binary_toolbtn.clicked.connect(self.show_global_binary_options) self.plot_type_btn_group.buttonClicked.connect(self.change_plot_type) # Setup for plot window self.canvas = MplCanvas(self.component_data["Names"], self.plotting_preferences) self.mpl_toolbar = NavigationToolbar2QT(self.canvas, self) self.mpl_toolbar.hide() self.canvas.hide() self.plot_layout.addWidget(self.mpl_toolbar) self.plot_layout.addWidget(self.canvas) self.init_isopleth_btns() self.redraw_checkbox.clicked.connect(self.toggle_redraw) self.plot_button.clicked.connect(self.plot) self.download_csv_btn.clicked.connect(self.export_csv) def set_toolbar(self): """ Creates the top toolbar """ # Logo logo = QLabel("Thermopack | Plot Mode ") logo.setStyleSheet("color: #FF8B06; font: 75 28pt 'Agency FB'; padding: 5px 10px 5px 10px;") # Top toolbar toolbar = self.addToolBar("Tool bar") toolbar.setMovable(False) toolbar.actionTriggered.connect(self.handle_toolbar_action) toolbar.setStyleSheet("padding: 5px 10px 5px 10px;") toolbar.addWidget(logo) toolbar.addSeparator() action_group = QActionGroup(self) if self.json_file: action_group.addAction(toolbar.addAction(QIcon("gui/icons/save.png"), "Save")) self.action_save = self.file_menu.addAction("Save", self.save_plot_settings, QKeySequence("Ctrl+S")) self.action_close = self.file_menu.addAction("Close", self.close, QKeySequence("Ctrl+Q")) else: self.action_close = self.file_menu.addAction("Close", self.close, QKeySequence("Ctrl+Q")) def handle_toolbar_action(self, action): """ Calls the correct function depending on which tool icon was clicked :param action: Type of tool clicked """ action = action.text() if action == "Save": self.save_plot_settings() @staticmethod def init_plotting_preferences(): """ :return: Dictionary for storing plotting preferences and parameters """ return { "Phase envelope": { "Isopleths": { "Minimum pressure": 100000.0, "Maximum pressure": 15000000.0, "Number of isopleths": 15, "Minimum temperature": 200.0, "Maximum temperature": 500.0, "N max": 50 }, "TPV": { "Initial pressure": 100000.0, "Maximum pressure": 15000000.0, "Minimum temperature": None, "Step size": 0.1, }, "Critical": { "Temperature": 0.0, "Volume": 0.0, "Error tolerance": 1.0e-7 }, "Plotting": { "Colors": ["#1f77b4", "#ff7f0e", "#ffd2d2", "#d5d3ff"], "Grid on": False, "Title": None, "x label": None, "y label": None } }, "Binary pxy": { "Calc": { "Temperature": 288.0, "Maximum pressure": 1.5e7, "Minimum pressure": 1.0e5, "Maximum dz": 0.003, "Maximum dlns": 0.01, }, "Plotting": { "Colors": ["#1f77b4", "#ff7f0e", "#ffd2d2", "#d5d3ff"], "Grid on": False, "Title": None, "x label": None, "y label": None } }, "Pressure density": { "Calc": { "Temperatures": [298.0], "Volume range start": 0.50, "Volume range end": 10.0, "Num points": 100, }, "Critical": { "Temperature": 0.0, "Volume": 0.0, "Error tolerance": 1.0e-7 }, "Plotting": { "Grid on": False, "Title": None, "x label": None, "y label": None }, "TPV": { "Initial pressure": 100000.0, "Maximum pressure": 15000000.0, "Minimum temperature": None, "Step size": 0.1 } }, "Global binary": { "Calc": { "Minimum pressure": 1.05e5, "Minimum temperature": 2.0, "Azeotropes": True, }, "Plotting": { "Colors": ["black", "blue", "red", "green"], "Linestyles": ["-", "--", ":", "-."], "Grid on": False, "Title": None, "x label": None, "y label": None } } } def init_plot_modes(self): """ Disables some plot options if there are too few or too many components """ if len(self.component_data["Names"]) != 2: self.binary_pxy_btn.setEnabled(False) self.global_binary_btn.setEnabled(False) def init_model_options(self): """ Adds model options to a widget depending on model category """ category = self.settings["Model category"] if category in ["Cubic", "CPA"]: pr_btn = QRadioButton("PR") srk_btn = QRadioButton("SRK") self.model_box_layout.addWidget(pr_btn) self.model_box_layout.addWidget(srk_btn) self.model_btn_group.addButton(pr_btn) self.model_btn_group.addButton(srk_btn) if self.settings["EOS"] == "PR": pr_btn.setChecked(True) elif self.settings["EOS"] == "SRK": srk_btn.setChecked(True) else: pass elif category == "PC-SAFT": # No model options for PC-SAFT pass elif category == "SAFT-VR Mie": self.a1_checkbox = QCheckBox("A1") self.a2_checkbox = QCheckBox("A2") self.a3_checkbox = QCheckBox("A3") self.hard_sphere_checkbox = QCheckBox("Hard sphere") self.chain_checkbox = QCheckBox("Chain") self.a1_checkbox.setChecked(self.settings["Model options"]["A1"]) self.a2_checkbox.setChecked(self.settings["Model options"]["A2"]) self.a3_checkbox.setChecked(self.settings["Model options"]["A3"]) self.hard_sphere_checkbox.setChecked(self.settings["Model options"]["Hard sphere"]) self.chain_checkbox.setChecked(self.settings["Model options"]["Chain"]) self.model_box_layout.addWidget(self.a1_checkbox) self.model_box_layout.addWidget(self.a2_checkbox) self.model_box_layout.addWidget(self.a3_checkbox) self.model_box_layout.addWidget(self.hard_sphere_checkbox) self.model_box_layout.addWidget(self.chain_checkbox) else: self.model_box.setVisible(False) def init_fractions(self): """ Adds component fraction widgets to window, depending on how many components are chosen """ components = self.component_data["Names"] self.component_data["Fractions"] = [0.00] * len(components) float_validator = FloatValidator() for i in range(len(components)): component = components[i] line_edit = QLineEdit() line_edit.setValidator(float_validator) line_edit.setText("0.00") line_edit.setObjectName(component) line_edit.editingFinished.connect(lambda comp=component: self.change_fraction(comp)) if len(components) == 1: line_edit.setText("1.00") line_edit.setEnabled(False) self.component_data["Fractions"][i] = 1.00 else: self.component_data["Fractions"][i] = 0.00 self.fractions_layout.addRow(components[i], line_edit) def init_isopleth_btns(self): """ Connects isopleth buttons to a show/hide function in MplCanvas """ self.PT_H_btn.clicked.connect(self.canvas.toggle_isenthalps) self.PT_S_btn.clicked.connect(self.canvas.toggle_isentropes) self.PH_T_btn.clicked.connect(self.canvas.toggle_isotherms) self.PH_S_btn.clicked.connect(self.canvas.toggle_isentropes) self.PS_T_btn.clicked.connect(self.canvas.toggle_isotherms) self.PS_H_btn.clicked.connect(self.canvas.toggle_isenthalps) self.TH_P_btn.clicked.connect(self.canvas.toggle_isobars) self.TH_S_btn.clicked.connect(self.canvas.toggle_isentropes) self.TS_P_btn.clicked.connect(self.canvas.toggle_isobars) self.TS_H_btn.clicked.connect(self.canvas.toggle_isenthalps) self.isopleth_btn_stack.hide() def change_plot_type(self, btn): """ :param btn: Selected radio button containing the selected plot type Enables/disables the different plot and model options depending on plot type """ if btn.text() == "Phase envelope": self.ph_env_toolbtn.setEnabled(True) self.p_rho_toolbtn.setEnabled(False) self.bin_pxy_toolbtn.setEnabled(False) self.global_binary_toolbtn.setEnabled(False) self.molar_fractions_box.setEnabled(True) self.primary_vars_box.setEnabled(True) elif btn.text() == "Binary pxy": self.ph_env_toolbtn.setEnabled(False) self.p_rho_toolbtn.setEnabled(False) self.bin_pxy_toolbtn.setEnabled(True) self.global_binary_toolbtn.setEnabled(False) self.molar_fractions_box.setEnabled(False) self.primary_vars_box.setEnabled(False) elif btn.text() == "Pressure density": self.ph_env_toolbtn.setEnabled(False) self.p_rho_toolbtn.setEnabled(True) self.bin_pxy_toolbtn.setEnabled(False) self.global_binary_toolbtn.setEnabled(False) self.molar_fractions_box.setEnabled(True) self.primary_vars_box.setEnabled(False) elif btn.text() == "Global binary": self.ph_env_toolbtn.setEnabled(False) self.p_rho_toolbtn.setEnabled(False) self.bin_pxy_toolbtn.setEnabled(False) self.global_binary_toolbtn.setEnabled(True) self.molar_fractions_box.setEnabled(False) self.primary_vars_box.setEnabled(False) else: pass def show_ph_env_options(self): """ Opens an option window where initial parameters for phase envelope plot can be set """ options_window = PhaseEnvelopeOptionsWindow(self.plotting_preferences, self.default_plotting_preferences) options_window.exec_() def show_bin_pxy_options(self): """ Opens an option window where initial parameters for binary pxy plot can be set """ options_window = BinaryPXYOptionsWindow(self.plotting_preferences, self.default_plotting_preferences) options_window.exec_() def show_p_rho_options(self): """ Opens an option window where initial parameters for pressure density plot can be set """ options_window = PRhoOptionsWindow(self.plotting_preferences, self.default_plotting_preferences) options_window.exec_() def show_global_binary_options(self): """ Opens an option window where initial parameters for global binary plot can be set """ options_window = GlobalBinaryOptionsWindow(self.plotting_preferences, self.default_plotting_preferences) options_window.exec_() def change_fraction(self, comp_name): """ Changes the mole fraction of a component :param str comp_name: Name of the component """ line_edit = self.molar_fractions_box.findChild(QLineEdit, comp_name) mol_frac = line_edit.text().replace(",", ".") index = self.component_data["Names"].index(comp_name) self.component_data["Fractions"][index] = float(mol_frac) def toggle_redraw(self, is_checked): self.redraw = is_checked def plot(self): """ Checks type of plot selected, gets the correct parameters, inits thermopack, and calls the correct plot function in MplCanvas """ category = self.settings["Model category"] plot_type = self.plot_type_btn_group.checkedButton().text() prim_vars = self.prim_vars_dropdown.currentText() if category in ["Cubic", "CPA"]: eos = self.model_btn_group.checkedButton().text() if self.settings["EOS"] != eos: self.settings["EOS"] = eos elif category == "SAFT-VR Mie": self.settings["Model options"]["A1"] = self.a1_checkbox.isChecked() self.settings["Model options"]["A2"] = self.a2_checkbox.isChecked() self.settings["Model options"]["A3"] = self.a3_checkbox.isChecked() self.settings["Model options"]["Hard sphere"] = self.hard_sphere_checkbox.isChecked() self.settings["Model options"]["Chain"] = self.chain_checkbox.isChecked() init_thermopack(self.tp, self.component_data, self.comp_list_name, self.settings) fractions = np.array(self.component_data["Fractions"]) if self.canvas.empty: self.canvas.axes = self.canvas.fig.add_subplot(111) self.canvas.empty = False if self.redraw: self.canvas.axes.cla() self.isopleth_btn_stack.hide() self.download_csv_btn.setEnabled(True) if plot_type in ["Phase envelope", "Pressure density"]: mole_fraction_sum = np.sum(fractions) if abs(mole_fraction_sum - 1.00) > 1e-8: msg_title = "Molar fractions error" msg_text = "Molar fractions have to add up to 1.00. Currently the sum is %s." % mole_fraction_sum msg = MessageBox(msg_title, msg_text) msg.exec_() return else: # Setting the last mol fraction to 1 - the rest of them, to ensure that the total sum is exactly 1 fractions[-1] = 1 - np.sum(fractions[:-1]) if plot_type == "Phase envelope": self.canvas.plot_envelope(self.tp, prim_vars, fractions) self.canvas.show() self.mpl_toolbar.show() if self.plotting_preferences["Phase envelope"]["Isopleths"]["Number of isopleths"] > 0: self.isopleth_btn_stack.show() elif plot_type == "Binary pxy": self.canvas.plot_binary_pxy(self.tp) self.canvas.show() self.mpl_toolbar.show() elif plot_type == "Pressure density": self.canvas.plot_pressure_density(self.tp, fractions) self.canvas.show() self.mpl_toolbar.show() elif plot_type == "Global binary": self.canvas.plot_global_binary(self.tp) self.canvas.show() self.mpl_toolbar.show() else: pass def export_csv(self): """ Creates and saves a csv file with the (x,y) data from all the currently plotted lines. | Line 1 x-data | Line 1 y-data | Line 2 x-data | Line 2 y-data | ... | x | y | x | y | ... | . | . | . | . | ... | . | . | . | . | ... | . | . | . | . | ... """ file_dialog = QFileDialog() file_dialog.setWindowTitle('Save File') file_dialog.setDirectory(os.getcwd()) file_dialog.setAcceptMode(QFileDialog.AcceptSave) file_dialog.setNameFilter('Csv files (*.csv)') file_dialog.setDefaultSuffix('csv') if file_dialog.exec_() == QFileDialog.Accepted: path = file_dialog.selectedFiles()[0] if path: lines = self.canvas.axes.lines longest_line_length = 0 for line in lines: if len(line.get_xdata()) > longest_line_length: longest_line_length = len(line.get_xdata()) line_data = () for i in range(len(lines)): line = lines[i] x_data = list(line.get_xdata()) y_data = list(line.get_ydata()) while len(x_data) < longest_line_length: x_data.append(np.nan) while len(y_data) < longest_line_length: y_data.append(np.nan) xy_data = (np.array(x_data), np.array(y_data)) line_data += xy_data np.savetxt(path, np.column_stack(line_data), delimiter=",") def save_plot_settings(self): """ Saves data to the current JSON-file. """ if self.json_file: save_json_data(self.data, self.json_file) self.msg = MessageBox("Success", "Data saved to %s." % self.json_file) else: self.msg = MessageBox("Failed", "Could not save data. No file is chosen.") self.msg.exec()