#!/usr/bin/python3
# -*- coding: utf-8 -*-
'''Pychemqt, Chemical Engineering Process simulator
Copyright (C) 2009-2025, Juan José Gómez Romera <jjgomera@gmail.com>
This program is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
Module for UI binary interaction parameter viewer
* :class:`Ui_BIP`: Dialog to view the BIP for selected component and EoS
'''
from tools.qt import QtWidgets
from lib.bip import Kij, EoSBIP
from lib.sql import databank
from UI.widgets import Tabla
[docs]
class Ui_BIP(QtWidgets.QDialog):
"""Dialog to view the BIP between selected component for EoS available
Parameters
----------
ids : list
Index of component
EoSIndex: integer
Index of EoS with BIP to show
"""
[docs]
def __init__(self, ids, EoSIndex=0, parent=None):
"""Constructor"""
super().__init__(parent)
self.setWindowTitle(self.tr("BIP (Binary interaction parameters)"))
lyt = QtWidgets.QGridLayout(self)
lyt.addWidget(QtWidgets.QLabel("EoS"), 1, 1)
self.eos = QtWidgets.QComboBox()
lyt.addWidget(self.eos, 1, 2)
lyt.addItem(QtWidgets.QSpacerItem(
0, 0, QtWidgets.QSizePolicy.Policy.Expanding,
QtWidgets.QSizePolicy.Policy.Fixed), 1, 3)
self.stacked = QtWidgets.QStackedWidget()
lyt.addWidget(self.stacked, 2, 1, 1, 3)
# Get component names to show in table header
names = []
for cmp in ids:
databank.execute(
f"SELECT id, name FROM compuestos WHERE id=={cmp}")
names.append("%4i - %s" % databank.fetchone())
kw = {"stretch": False, "readOnly": True, "horizontalHeader": names,
"verticalHeaderLabels": names}
title = {"WILSON": "Aij", "UNIQUAC": "ΔUij", "NRTL": "Gij"}
# Iterate over the EoS available
for EoS in EoSBIP:
self.eos.addItem(EoS)
k = Kij(ids, EoS)
widget = QtWidgets.QWidget()
lyt2 = QtWidgets.QVBoxLayout(widget)
lyt2.addWidget(QtWidgets.QLabel(title.get(EoS, "Kij")))
table1 = Tabla(len(ids), len(ids), **kw)
lyt2.addWidget(table1)
# Special case for NRTL with two interaction parameters matrix
if EoS == "NRTL":
lyt2.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Policy.Fixed,
QtWidgets.QSizePolicy.Policy.Fixed))
lyt2.addWidget(QtWidgets.QLabel("α"))
table2 = Tabla(len(ids), len(ids), **kw)
lyt2.addWidget(table2)
table1.setData(k[0])
table2.setData(k[1])
table2.resizeColumnsToContents()
else:
table1.setData(k)
table1.resizeColumnsToContents()
lyt2.addItem(QtWidgets.QSpacerItem(
0, 0, QtWidgets.QSizePolicy.Policy.Expanding,
QtWidgets.QSizePolicy.Policy.Expanding))
height = table1.horizontalHeader().sizeHint().height() + 2
for i in range(table1.rowCount()):
height += table1.rowHeight(i)
table1.setFixedHeight(height)
if EoS == "NRTL":
table2.setFixedHeight(height)
self.stacked.addWidget(widget)
self.eos.currentIndexChanged.connect(self.stacked.setCurrentIndex)
button = QtWidgets.QDialogButtonBox(
QtWidgets.QDialogButtonBox.StandardButton.Cancel
| QtWidgets.QDialogButtonBox.StandardButton.Ok)
button.accepted.connect(self.accept)
button.rejected.connect(self.reject)
lyt.addWidget(button, 4, 1, 1, 4)
self.eos.setCurrentIndex(EoSIndex)
if __name__ == "__main__":
import sys
app = QtWidgets.QApplication(sys.argv)
Dialog = Ui_BIP([38, 44, 45], 4)
Dialog.show()
sys.exit(app.exec())
