def __init__(self, indices=None, nombres=None, x=None, y=None, parent=None):
super(Binary_distillation, self).__init__(parent)
self.setWindowTitle(self.title)
layout=QtWidgets.QGridLayout(self)
layout.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("equipment", "Component 1:")),1,1)
self.Comp1=QtWidgets.QComboBox()
layout.addWidget(self.Comp1,1,2)
layout.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("equipment", "Component 2:")),1,4)
self.Comp2=QtWidgets.QComboBox()
layout.addWidget(self.Comp2,1,5)
self.indices=indices
self.nombres=nombres
for i, nombre in enumerate(nombres):
self.Comp1.addItem("%i - %s" %(i+1, nombre))
self.Comp2.addItem("%i - %s" %(i+1, nombre))
self.Comp2.setCurrentIndex(1)
tab=QtWidgets.QTabWidget()
layout.addWidget(tab,2,1,1,5)
self.plot=mpl()
tab.addTab(self.plot, QtWidgets.QApplication.translate("equipment", "Plot"))
self.tabla=Tabla(2, horizontalHeader=["x", "y"], stretch=False, readOnly=True)
tab.addTab(self.tabla, QtWidgets.QApplication.translate("equipment", "Table"))
self.Comp1.currentIndexChanged.connect(self.calculo)
self.Comp2.currentIndexChanged.connect(self.calculo)
if x and y:
self.rellenar(x, y)
else:
self.calculo()
def __init__(self, equipment=None, salidas=0, parent=None):
"""
equipment: Initial equipment instance to model
salidas: Stream Output number to equipment
"""
super(UI_equipment, self).__init__(Divider,
entrada=False,
parent=parent)
# Calculate tab
lyt_Calc = QtGui.QGridLayout(self.tabCalculo)
lyt_Calc.addWidget(
QtGui.QLabel(QtGui.QApplication.translate("pychemqt",
"Separation")), 1, 1, 1,
1)
self.criterio = QtGui.QComboBox()
for txt in self.Equipment.TEXT_CRITERIO:
self.criterio.addItem(txt)
self.criterio.currentIndexChanged.connect(self.criterio_Changed)
lyt_Calc.addWidget(self.criterio, 1, 2, 1, 1)
self.fracciones = Tabla(1, horizontalHeader=[True], stretch=False)
self.fracciones.setItemDelegateForColumn(0, CellEditor(self))
lyt_Calc.addWidget(self.fracciones, 2, 1, 1, 2)
lyt_Calc.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Pressure lost")), 3,
1, 1, 1)
self.deltaP = Entrada_con_unidades(Pressure, value=0)
self.deltaP.valueChanged.connect(partial(self.changeParams, "deltaP"))
lyt_Calc.addWidget(self.deltaP, 3, 2, 1, 1)
if equipment and salidas:
equipment(salidas=salidas)
elif equipment:
salidas = equipment.kwargs["salidas"]
else:
self.Equipment = Divider(salidas=salidas)
self.fracciones.setRowCount(salidas)
for i in range(salidas):
self.fracciones.setItem(0, i, QtGui.QTableWidgetItem(""))
self.fracciones.item(0,
i).setTextAlignment(QtCore.Qt.AlignRight
| QtCore.Qt.AlignVCenter)
self.fracciones.setRowHeight(i, 20)
widget = UI_corriente.Ui_corriente(readOnly=True)
self.Salida.addTab(widget, str(i + 1))
self.criterio_Changed(0)
self.fracciones.editingFinished.connect(
partial(self.changeParams, "split"))
self.setEquipment(equipment)
def __init__(self, indices=None, nombres=None, x=None, y=None, parent=None):
super(Binary_distillation, self).__init__(parent)
self.setWindowTitle(self.title)
layout=QtGui.QGridLayout(self)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate("equipment", "Component 1:")),1,1)
self.Comp1=QtGui.QComboBox()
layout.addWidget(self.Comp1,1,2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate("equipment", "Component 2:")),1,4)
self.Comp2=QtGui.QComboBox()
layout.addWidget(self.Comp2,1,5)
self.indices=indices
self.nombres=nombres
for i, nombre in enumerate(nombres):
self.Comp1.addItem("%i - %s" %(i+1, nombre))
self.Comp2.addItem("%i - %s" %(i+1, nombre))
self.Comp2.setCurrentIndex(1)
tab=QtGui.QTabWidget()
layout.addWidget(tab,2,1,1,5)
self.plot=mpl()
tab.addTab(self.plot, QtGui.QApplication.translate("equipment", "Plot"))
self.tabla=Tabla(2, horizontalHeader=["x", "y"], stretch=False, readOnly=True)
tab.addTab(self.tabla, QtGui.QApplication.translate("equipment", "Table"))
self.Comp1.currentIndexChanged.connect(self.calculo)
self.Comp2.currentIndexChanged.connect(self.calculo)
if x and y:
self.rellenar(x, y)
else:
self.calculo()
def __init__(self, equipment=None, project=None, parent=None):
"""
equipment: Initial equipment instance to model
"""
super().__init__(Spreadsheet, entrada=True, salida=True, calculo=False, parent=parent)
self.project = project
# Calculate tab
layout = QtWidgets.QGridLayout(self.Entrada)
label = QtWidgets.QApplication.translate("pychemqt", "Spreadsheet path") + ":"
msg = QtWidgets.QApplication.translate("pychemqt", "Select Spreadsheet")
patrones = []
if os.environ["ezodf"]:
patrones.append(QtWidgets.QApplication.translate("pychemqt", "Libreoffice spreadsheet files") + " (*.ods)")
if os.environ["xlwt"]:
patrones.append(
QtWidgets.QApplication.translate("pychemqt", "Microsoft Excel 97/2000/XP/2003 XML") + " (*.xls)"
)
if os.environ["openpyxl"]:
patrones.append(QtWidgets.QApplication.translate("pychemqt", "Microsoft Excel 2007/2010 XML") + " (*.xlsx)")
patron = ";;".join(patrones)
self.filename = PathConfig(label, msg=msg, patron=patron)
self.filename.valueChanged.connect(self.changeSpreadsheet)
layout.addWidget(self.filename, 1, 1)
header = [
QtWidgets.QApplication.translate("pychemqt", "Entity"),
QtWidgets.QApplication.translate("pychemqt", "Variable"),
QtWidgets.QApplication.translate("pychemqt", "Unit value"),
QtWidgets.QApplication.translate("pychemqt", "Sheet"),
QtWidgets.QApplication.translate("pychemqt", "Cell"),
]
self.datamap = Tabla(
5,
filas=1,
dinamica=True,
horizontalHeader=header,
verticalHeader=False,
orientacion=QtCore.Qt.AlignLeft,
num=False,
delegateforRow=TableDelegate,
parent=self,
)
self.datamap.setEnabled(False)
self.datamap.cellChanged.connect(self.cellChanged)
self.datamap.rowFinished.connect(self.addRow)
layout.addWidget(self.datamap, 2, 1)
layout.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Expanding), 10, 1
)
entitys = []
for stream in list(self.project.streams.keys()):
entitys.append("s%i" % stream)
for equip in list(self.project.items.keys()):
if equip[0] == "e":
entitys.append(equip)
self.datamap.itemDelegateForRow(0).setItemsByIndex(0, entitys)
self.entitys = entitys
if equipment:
self.setEquipment(equipment)
def __init__(self, parent=None):
super(widgetReacciones, self).__init__(parent)
self.indices, self.nombres, M=getComponents()
gridLayout = QtWidgets.QGridLayout(self)
self.TablaReacciones=Tabla(5, horizontalHeader=[QtWidgets.QApplication.translate("pychemqt", "Reaction"), "ΔHr, %s" %unidades.MolarEnthalpy(None).text(), QtWidgets.QApplication.translate("pychemqt", "Type"), QtWidgets.QApplication.translate("pychemqt", "Phase"), QtWidgets.QApplication.translate("pychemqt", "Description")], dinamica=False, verticalHeader=True, orientacion=QtCore.Qt.AlignLeft)
self.TablaReacciones.setMinimumWidth(500)
self.TablaReacciones.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.TablaReacciones.setSelectionMode(QtWidgets.QAbstractItemView.SingleSelection)
self.TablaReacciones.horizontalHeader().setStretchLastSection(True)
self.TablaReacciones.setEditTriggers(QtWidgets.QAbstractItemView.NoEditTriggers)
self.TablaReacciones.itemSelectionChanged.connect(self.actualizarBotones)
gridLayout.addWidget(self.TablaReacciones,1,1,6,4)
self.botonAbrir=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileOpen.png")), QtWidgets.QApplication.translate("pychemqt", "Open"))
self.botonAbrir.clicked.connect(self.botonAbrirClicked)
gridLayout.addWidget(self.botonAbrir,1,5)
self.botonGuardar=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileSave.png")), QtWidgets.QApplication.translate("pychemqt", "Save"))
self.botonGuardar.clicked.connect(self.botonGuardarClicked)
self.botonGuardar.setSizePolicy(QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed)
self.botonGuardar.setEnabled(False)
gridLayout.addWidget(self.botonGuardar,2,5)
self.botonNew=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileNew.png")), QtWidgets.QApplication.translate("pychemqt", "New"))
self.botonNew.clicked.connect(self.botonNewClicked)
gridLayout.addWidget(self.botonNew,3,5)
self.botonEdit=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/editor.png")), QtWidgets.QApplication.translate("pychemqt", "Edit"))
self.botonEdit.setEnabled(False)
self.botonEdit.setCheckable(True)
self.botonEdit.clicked.connect(self.botonEditClicked)
gridLayout.addWidget(self.botonEdit,4,5)
self.botonDelete=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/editDelete.png")), QtWidgets.QApplication.translate("pychemqt", "Delete"))
self.botonDelete.setEnabled(False)
self.botonDelete.clicked.connect(self.botonDeleteClicked)
gridLayout.addWidget(self.botonDelete,5,5)
self.botonClear=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/clear.png")), QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonClear.clicked.connect(self.botonClearClicked)
gridLayout.addWidget(self.botonClear,6,5)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),10,1)
def __init__(self, equipment=None, salidas=0, parent=None):
"""
equipment: Initial equipment instance to model
salidas: Stream Output number to equipment
"""
super().__init__(Divider, entrada=False, parent=parent)
# Calculate tab
lyt_Calc = QtWidgets.QGridLayout(self.tabCalculo)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Separation")), 1, 1, 1, 1)
self.criterio = QtWidgets.QComboBox()
for txt in self.Equipment.TEXT_CRITERIO:
self.criterio.addItem(txt)
self.criterio.currentIndexChanged.connect(self.criterio_Changed)
lyt_Calc.addWidget(self.criterio, 1, 2, 1, 1)
self.fracciones = Tabla(1, horizontalHeader=[True], stretch=False)
self.fracciones.setItemDelegateForColumn(0, CellEditor(self))
lyt_Calc.addWidget(self.fracciones, 2, 1, 1, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Pressure lost")), 3, 1, 1, 1)
self.deltaP = Entrada_con_unidades(Pressure, value=0)
self.deltaP.valueChanged.connect(partial(self.changeParams, "deltaP"))
lyt_Calc.addWidget(self.deltaP, 3, 2, 1, 1)
if equipment and salidas:
equipment(salidas=salidas)
elif equipment:
salidas = equipment.kwargs["salidas"]
else:
self.Equipment = Divider(salidas=salidas)
self.fracciones.setRowCount(salidas)
for i in range(salidas):
itm = QtWidgets.QTableWidgetItem("%i" % i)
itm.setTextAlignment(QtCore.Qt.AlignRight | QtCore.Qt.AlignVCenter)
self.fracciones.setItem(0, i, itm)
self.fracciones.setRowHeight(i, 20)
widget = UI_corriente.Ui_corriente(readOnly=True)
self.Salida.addTab(widget, str(i+1))
self.criterio_Changed(0)
self.fracciones.editingFinished.connect(
partial(self.changeParams, "split"))
self.setEquipment(equipment)
def __init__(self, parent=None):
super(widgetReacciones, self).__init__(parent)
self.indices, self.nombres, M=getComponents()
gridLayout = QtWidgets.QGridLayout(self)
self.TablaReacciones=Tabla(5, horizontalHeader=[QtWidgets.QApplication.translate("pychemqt", "Reaction"), "ΔHr, %s" %unidades.MolarEnthalpy(None).text(), QtWidgets.QApplication.translate("pychemqt", "Type"), QtWidgets.QApplication.translate("pychemqt", "Phase"), QtWidgets.QApplication.translate("pychemqt", "Description")], dinamica=False, verticalHeader=True, orientacion=QtCore.Qt.AlignLeft)
self.TablaReacciones.setMinimumWidth(500)
self.TablaReacciones.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.TablaReacciones.setSelectionMode(QtWidgets.QAbstractItemView.SingleSelection)
self.TablaReacciones.horizontalHeader().setStretchLastSection(True)
self.TablaReacciones.setEditTriggers(QtWidgets.QAbstractItemView.NoEditTriggers)
self.TablaReacciones.itemSelectionChanged.connect(self.actualizarBotones)
gridLayout.addWidget(self.TablaReacciones,1,1,6,4)
self.botonAbrir=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileOpen.png")), QtWidgets.QApplication.translate("pychemqt", "Open"))
self.botonAbrir.clicked.connect(self.botonAbrirClicked)
gridLayout.addWidget(self.botonAbrir,1,5)
self.botonGuardar=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileSave.png")), QtWidgets.QApplication.translate("pychemqt", "Save"))
self.botonGuardar.clicked.connect(self.botonGuardarClicked)
self.botonGuardar.setSizePolicy(QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed)
self.botonGuardar.setEnabled(False)
gridLayout.addWidget(self.botonGuardar,2,5)
self.botonNew=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileNew.png")), QtWidgets.QApplication.translate("pychemqt", "New"))
self.botonNew.clicked.connect(self.botonNewClicked)
gridLayout.addWidget(self.botonNew,3,5)
self.botonEdit=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/editor.png")), QtWidgets.QApplication.translate("pychemqt", "Edit"))
self.botonEdit.setEnabled(False)
self.botonEdit.setCheckable(True)
self.botonEdit.clicked.connect(self.botonEditClicked)
gridLayout.addWidget(self.botonEdit,4,5)
self.botonDelete=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/editDelete.png")), QtWidgets.QApplication.translate("pychemqt", "Delete"))
self.botonDelete.setEnabled(False)
self.botonDelete.clicked.connect(self.botonDeleteClicked)
gridLayout.addWidget(self.botonDelete,5,5)
self.botonClear=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/clear.png")), QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonClear.clicked.connect(self.botonClearClicked)
gridLayout.addWidget(self.botonClear,6,5)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),10,1)
def __init__(self, ids, EoSIndex=0, parent=None):
"""Constructor"""
super(Ui_BIP, self).__init__(parent)
self.setWindowTitle(QtWidgets.QApplication.translate(
"pychemqt", "BIP (Binary interaction parameters)"))
lyt = QtWidgets.QGridLayout(self)
lyt.addWidget(QtWidgets.QLabel("EoS"), 1, 1)
self.eleccion = QtWidgets.QComboBox()
lyt.addWidget(self.eleccion, 1, 2)
lyt.addItem(QtWidgets.QSpacerItem(
0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.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(
"SELECT id, name FROM compuestos WHERE id==%i" % cmp)
names.append("%4i - %s" % databank.fetchone())
args = (len(ids), len(ids))
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.eleccion.addItem(EoS)
k = Kij(ids, EoS)
widget = QtWidgets.QWidget()
lyt2 = QtWidgets.QVBoxLayout(widget)
lyt2.addWidget(QtWidgets.QLabel(title.get(EoS, "Kij")))
table1 = Tabla(*args, **kw)
lyt2.addWidget(table1)
# Special case for NRTL with two interaction parameters matrix
if EoS == "NRTL":
lyt2.addWidget(QtWidgets.QLabel("α"))
table2 = Tabla(*args, **kw)
lyt2.addWidget(table2)
kij, aij = k
table1.setData(kij)
table2.setData(aij)
table1.resizeColumnsToContents()
table2.resizeColumnsToContents()
else:
table1.setData(k)
table1.resizeColumnsToContents()
self.stacked.addWidget(widget)
self.eleccion.currentIndexChanged.connect(self.stacked.setCurrentIndex)
button = QtWidgets.QDialogButtonBox(
QtWidgets.QDialogButtonBox.Cancel | QtWidgets.QDialogButtonBox.Ok)
button.accepted.connect(self.accept)
button.rejected.connect(self.reject)
lyt.addWidget(button, 3, 1, 1, 3)
self.eleccion.setCurrentIndex(EoSIndex)
class UI_reacciones(QtWidgets.QDialog):
reaction = reaction.Reaction()
def __init__(self, reaccion=None, parent=None):
super(UI_reacciones, self).__init__(parent)
self.evaluate = Evaluate()
self.evaluate.finished.connect(self.rellenar)
self.indices, self.nombres, M = getComponents()
gridLayout = QtWidgets.QGridLayout(self)
lyt = QtWidgets.QHBoxLayout()
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Key component")))
self.key = QtWidgets.QComboBox()
for i, nombre in enumerate(self.nombres):
self.key.addItem("%i - %s" % (i + 1, nombre))
self.key.currentIndexChanged.connect(partial(self.changeParams, "key"))
lyt.addWidget(self.key)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt, 1, 1, 1, 5)
lyt = QtWidgets.QHBoxLayout()
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Phase")))
self.fase = QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_PHASE:
self.fase.addItem(txt)
self.fase.currentIndexChanged.connect(
partial(self.changeParams, "fase"))
lyt.addWidget(self.fase)
self.Formula = QtWidgets.QLabel()
self.Formula.setAlignment(QtCore.Qt.AlignCenter)
self.Formula.setSizePolicy(QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed)
lyt.addWidget(self.Formula)
gridLayout.addLayout(lyt, 2, 1, 1, 5)
lyt = QtWidgets.QVBoxLayout()
title = self.nombres[:]
title.append("")
self.Estequiometria = Tabla(1,
verticalHeaderLabels=title,
horizontalHeader=[
QtWidgets.QApplication.translate(
"pychemqt", "Coefficients")
],
filas=len(self.indices))
self.Estequiometria.setFixedHeight(22 * len(self.indices) + 22 + 4 +
22)
lyt.addWidget(self.Estequiometria)
self.Estequiometria.addRow()
brush = QtGui.QBrush(QtGui.QColor("#eaeaea"))
self.Estequiometria.item(len(self.indices), 0).setBackground(brush)
self.Estequiometria.item(len(self.indices),
0).setFlags(QtCore.Qt.NoItemFlags)
self.Estequiometria.cellChanged.connect(self.reaccionCambiada)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt, 3, 1, 1, 2)
lyt = QtWidgets.QGridLayout()
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 1, 1)
self.formula = QtWidgets.QCheckBox(
QtWidgets.QApplication.translate("pychemqt",
"Use name in formula"))
self.formula.toggled.connect(partial(self.changeParams, "formula"))
lyt.addWidget(self.formula, 1, 2, 1, 2)
self.customHr = QtWidgets.QCheckBox(
"ΔHr " +
QtWidgets.QApplication.translate("pychemqt", "user specified"))
self.customHr.toggled.connect(self.changeHr)
lyt.addWidget(self.customHr, 2, 2, 1, 2)
lyt.addWidget(QtWidgets.QLabel("ΔHr<sup>o</sup>"), 3, 2)
self.Hr = Entrada_con_unidades(unidades.MolarEnthalpy, readOnly=True)
self.Hr.valueChanged.connect(partial(self.changeParams, "Hr"))
lyt.addWidget(self.Hr, 3, 3)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt, 3, 3, 1, 2)
gridLayout.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 4, 2)
lyt = QtWidgets.QHBoxLayout()
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Type")))
self.tipo = QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_TYPE:
self.tipo.addItem(txt)
self.tipo.currentIndexChanged.connect(
partial(self.changeParams, "tipo"))
lyt.addWidget(self.tipo)
lyt.addItem(
QtWidgets.QSpacerItem(20, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed))
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Concentration")))
self.base = QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_BASE:
self.base.addItem(txt)
self.base.currentIndexChanged.connect(
partial(self.changeParams, "base"))
lyt.addWidget(self.base)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt, 5, 1, 1, 5)
self.stacked = QtWidgets.QStackedWidget()
self.tipo.currentIndexChanged.connect(self.stacked.setCurrentIndex)
gridLayout.addWidget(self.stacked, 6, 1, 1, 5)
gridLayout.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 7, 1, 1, 5)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
lyt.addWidget(
QtWidgets.QLabel("<h3>" + QtWidgets.QApplication.translate(
"pychemqt", "Estequiometric reaction") + "</h3>"), 1, 1, 1, 4)
self.Conversion = Tabla(1, verticalHeaderModel="C", filas=3)
self.Conversion.setConnected()
self.Conversion.setFixedWidth(100)
lyt.addWidget(self.Conversion, 2, 1, 3, 1)
label = QtWidgets.QLabel()
label.setPixmap(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/equation/reaction_conversion.png"))
lyt.addWidget(label, 2, 2, 1, 3)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Temperature unit")), 3, 2)
self.unidadesTemperatura = QtWidgets.QComboBox()
for i in unidades.Temperature.__text__:
self.unidadesTemperatura.addItem(i)
lyt.addWidget(self.unidadesTemperatura, 3, 3)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 4, 4)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 5, 1, 1, 5)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
self.check_KFijo = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate("pychemqt", "Fixed"))
self.check_KFijo.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KFijo, 1, 1, 1, 2)
lyt.addWidget(QtWidgets.QLabel("K<sub>eq</sub>"), 1, 3)
self.Keq = Entrada_con_unidades(float)
lyt.addWidget(self.Keq, 1, 4)
label = QtWidgets.QLabel()
label.setPixmap(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/equation/reaction_equilibrium.png"))
lyt.addWidget(label, 1, 5, 1, 4)
self.check_KEq = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate("pychemqt", "Equation"))
self.check_KEq.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KEq, 2, 1, 1, 2)
self.check_KTabla = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate("pychemqt", "Table"))
self.check_KTabla.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KTabla, 2, 5, 1, 2)
self.KEq_Dat = Tabla(
1,
verticalHeaderLabels=["A", "B", "C", "D", "E", "F", "G", "H"],
filas=8)
self.KEq_Dat.setFixedHeight(22 * 8 + 4)
self.KEq_Dat.setFixedWidth(120)
lyt.addWidget(self.KEq_Dat, 3, 3, 1, 2)
self.KEq_Tab = Tabla(
4,
horizontalHeader=["T, K", "Keq", "Kcalc", "%Error"],
verticalHeader=False,
columnReadOnly=[False, False, True, True])
self.KEq_Tab.setSizePolicy(QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding)
self.KEq_Tab.setFixedWidth(400)
self.KEq_Tab.setConnected()
self.KEq_Tab.rowFinished.connect(self.Regresion)
self.KEq_Tab.setAlternatingRowColors(False)
lyt.addWidget(self.KEq_Tab, 3, 5, 1, 4)
lyt.addWidget(QtWidgets.QLabel("r²"), 4, 5)
self.r2 = Entrada_con_unidades(float, readOnly=True)
lyt.addWidget(self.r2, 4, 6)
self.botonTablaPlot = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/plot.png")),
QtWidgets.QApplication.translate("pychemqt", "Plot"))
self.botonTablaPlot.clicked.connect(self.Plot)
lyt.addWidget(self.botonTablaPlot, 4, 7)
self.botonTablaClear = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/clear.png")),
QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonTablaClear.clicked.connect(self.KEq_Tab.clear)
lyt.addWidget(self.botonTablaClear, 4, 8)
label = QtWidgets.QLabel()
label.setPixmap(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/equation/reaction_equilibrium2.png"))
label.setAlignment(QtCore.Qt.AlignCenter)
lyt.addWidget(label, 5, 1, 1, 8)
self.checkGibbs = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate(
"pychemqt", "From Gibbs free energy minimization"))
lyt.addWidget(self.checkGibbs, 6, 1, 1, 4)
self.check_KFijo.setChecked(True)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
self.status = Status()
gridLayout.addWidget(self.status, 10, 1)
self.buttonBox = QtWidgets.QDialogButtonBox(
QtWidgets.QDialogButtonBox.Cancel | QtWidgets.QDialogButtonBox.Ok)
self.buttonBox.accepted.connect(self.accept)
self.buttonBox.rejected.connect(self.reject)
gridLayout.addWidget(self.buttonBox, 10, 2, 1, 4)
if reaccion:
self.setReaction(reaccion)
def changeParams(self, parametro, valor):
self.calculo(**{parametro: valor})
def calculo(self, **kwargs):
self.status.setState(4)
self.evaluate.start(self.reaction, kwargs)
def changeHr(self, bool):
self.Hr.setReadOnly(not bool)
self.changeParams("customHr", bool)
def reaccionCambiada(self):
kwargs = {
"componentes": self.indices,
"coeficientes": self.Estequiometria.getColumn(0)[:-1]
}
self.calculo(**kwargs)
def setReaction(self, reaction):
self.reaction = reaction
self.rellenar()
# if self.Estequiometria.getValue(0, self.Base.currentIndex()):
# reaccion=reaction.Reaction(self.indices, self.Estequiometria.getColumn(0), base=self.Base.currentIndex(), estequiometria=[0, 0, 0.5], formulas=self.checkFormula.isChecked(), calor=self.checkCalorEspecificado.isChecked(), Hr=self.Hr.value, tipo=self.tipo.currentIndex(), conversion=self.Conversion.getColumn(0)[-1::-1])
# self.Balance.setValue(reaccion.error)
# if reaccion.state:
# self.Formula.setText(reaccion._txt(self.checkFormula.isChecked()))
# self.Hr.setValue(reaccion.Hr)
# else:
# self.Formula.clear()
# self.Hr.clear()
# self.botonAdd.setEnabled(reaccion.state and not self.botonEdit.isChecked())
# self.reaccion=reaccion
def rellenar(self):
self.blockSignals(True)
for variable in self.reaction.kwargsValue:
self.__getattribute__(variable).setValue(
self.reaction.kwargs[variable])
for combo in self.reaction.kwargsList:
self.__getattribute__(combo).setCurrentIndex(
self.reaction.kwargs[combo])
for check in self.reaction.kwargsCheck:
self.__getattribute__(check).setChecked(
self.reaction.kwargs[check])
self.Estequiometria.setColumn(0, self.reaction.kwargs["coeficientes"])
# self.Conversion.setColumn(0, self.reaction.estequiometria[-1::-1])
self.blockSignals(False)
self.status.setState(self.reaction.status, self.reaction.msg)
self.Estequiometria.item(len(self.indices),
0).setText(str(self.reaction.error))
if self.reaction.status:
self.Formula.setText(self.reaction._txt())
self.Hr.setValue(self.reaction.Hr)
def KeqChanged(self):
self.Keq.setReadOnly(not self.check_KFijo.isChecked())
self.KEq_Dat.setEnabled(self.check_KEq.isChecked())
self.KEq_Tab.setEnabled(self.check_KTabla.isChecked())
self.botonTablaClear.setEnabled(self.check_KTabla.isChecked())
self.botonTablaPlot.setEnabled(self.check_KTabla.isChecked())
def Regresion(self):
t = array(self.KEq_Tab.getColumn(0)[:-1])
k = array(self.KEq_Tab.getColumn(1)[:-1])
if len(t) >= 4:
if 4 <= len(t) < 8:
inicio = r_[0, 0, 0, 0]
f = lambda par, T: exp(par[0] + par[1] / T + par[2] * log(T) +
par[3] * T)
resto = lambda par, T, k: k - f(par, T)
else:
inicio = r_[0, 0, 0, 0, 0, 0, 0, 0]
f = lambda par, T: exp(par[0] + par[1] / T + par[2] * log(
T) + par[3] * T + par[4] * T**2 + par[5] * T**3 + par[6] *
T**4 + par[7] * T**5)
resto = lambda par, T, k: k - f(par, T)
ajuste = leastsq(resto, inicio, args=(t, k))
kcalc = f(ajuste[0], t)
error = (k - kcalc) / k * 100
self.KEq_Dat.setColumn(0, ajuste[0])
self.KEq_Tab.setColumn(2, kcalc)
self.KEq_Tab.setColumn(3, error)
if ajuste[1] in [1, 2, 3, 4]:
self.ajuste = ajuste[0]
def Plot(self):
if self.ajuste != None:
t = array(self.KEq_Tab.getColumn(0)[:-1])
k = array(self.KEq_Tab.getColumn(1)[:-1])
if 4 <= len(t) < 8:
f = lambda par, T: exp(par[0] + par[1] / T + par[2] * log(T) +
par[3] * T)
else:
f = lambda par, T: exp(par[0] + par[1] / T + par[2] * log(
T) + par[3] * T + par[4] * T**2 + par[5] * T**3 + par[6] *
T**4 + par[7] * T**5)
grafico = plot.Plot()
grafico.data(t, k, 'ro', t, f(self.ajuste, t))
grafico.exec_()
class UI_equipment(UI_equip):
"""Divider equipment edition dialog"""
Equipment = Divider()
def __init__(self, equipment=None, salidas=0, parent=None):
"""
equipment: Initial equipment instance to model
salidas: Stream Output number to equipment
"""
super().__init__(Divider, entrada=False, parent=parent)
# Calculate tab
lyt_Calc = QtWidgets.QGridLayout(self.tabCalculo)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Separation")), 1, 1, 1, 1)
self.criterio = QtWidgets.QComboBox()
for txt in self.Equipment.TEXT_CRITERIO:
self.criterio.addItem(txt)
self.criterio.currentIndexChanged.connect(self.criterio_Changed)
lyt_Calc.addWidget(self.criterio, 1, 2, 1, 1)
self.fracciones = Tabla(1, horizontalHeader=[True], stretch=False)
self.fracciones.setItemDelegateForColumn(0, CellEditor(self))
lyt_Calc.addWidget(self.fracciones, 2, 1, 1, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Pressure lost")), 3, 1, 1, 1)
self.deltaP = Entrada_con_unidades(Pressure, value=0)
self.deltaP.valueChanged.connect(partial(self.changeParams, "deltaP"))
lyt_Calc.addWidget(self.deltaP, 3, 2, 1, 1)
if equipment and salidas:
equipment(salidas=salidas)
elif equipment:
salidas = equipment.kwargs["salidas"]
else:
self.Equipment = Divider(salidas=salidas)
self.fracciones.setRowCount(salidas)
for i in range(salidas):
itm = QtWidgets.QTableWidgetItem("%i" % i)
itm.setTextAlignment(QtCore.Qt.AlignRight | QtCore.Qt.AlignVCenter)
self.fracciones.setItem(0, i, itm)
self.fracciones.setRowHeight(i, 20)
widget = UI_corriente.Ui_corriente(readOnly=True)
self.Salida.addTab(widget, str(i+1))
self.criterio_Changed(0)
self.fracciones.editingFinished.connect(
partial(self.changeParams, "split"))
self.setEquipment(equipment)
def criterio_Changed(self, int):
if int:
item = QtWidgets.QTableWidgetItem(QtWidgets.QApplication.translate(
"pychemqt", "Flow")+", "+MassFlow.text())
self.fracciones.setHorizontalHeaderItem(0, item)
self.fracciones.item(self.fracciones.rowCount()-1, 0).setFlags(
QtCore.Qt.ItemIsEditable | QtCore.Qt.ItemIsEnabled |
QtCore.Qt.ItemIsSelectable)
else:
item = QtWidgets.QTableWidgetItem(QtWidgets.QApplication.translate(
"pychemqt", "Flow")+", "+MassFlow.text())
self.fracciones.setHorizontalHeaderItem(0, item)
self.fracciones.item(self.fracciones.rowCount()-1, 0).setFlags(
QtCore.Qt.NoItemFlags)
self.changeParams("criterio", int)
def changeParams(self, parametro, valor=None):
if parametro == "split":
valor = self.fracciones.getColumn(0, False)
if self.criterio.currentIndex() == 0:
if len(valor)+1 < self.fracciones.rowCount():
return
elif len(valor)+1 == self.fracciones.rowCount():
valor.append(1-sum(valor))
elif len(valor) == self.fracciones.rowCount():
valor[-1] = 1-sum(valor[:-1])
self.calculo(**{parametro: valor})
def rellenar(self):
UI_equip.rellenar(self)
if self.Equipment.status == 1 and self.criterio.currentIndex() == 1:
self.entrada.setCorriente(self.Equipment.entrada)
def rellenarInput(self):
UI_equip.rellenarInput(self)
self.fracciones.setColumn(0, self.Equipment.kwargs["split"])
class Binary_distillation(QtGui.QDialog):
title=QtGui.QApplication.translate("pychemqt", "x-y Distillation")
def __init__(self, indices=None, nombres=None, x=None, y=None, parent=None):
super(Binary_distillation, self).__init__(parent)
self.setWindowTitle(self.title)
layout=QtGui.QGridLayout(self)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate("equipment", "Component 1:")),1,1)
self.Comp1=QtGui.QComboBox()
layout.addWidget(self.Comp1,1,2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate("equipment", "Component 2:")),1,4)
self.Comp2=QtGui.QComboBox()
layout.addWidget(self.Comp2,1,5)
self.indices=indices
self.nombres=nombres
for i, nombre in enumerate(nombres):
self.Comp1.addItem("%i - %s" %(i+1, nombre))
self.Comp2.addItem("%i - %s" %(i+1, nombre))
self.Comp2.setCurrentIndex(1)
tab=QtGui.QTabWidget()
layout.addWidget(tab,2,1,1,5)
self.plot=mpl()
tab.addTab(self.plot, QtGui.QApplication.translate("equipment", "Plot"))
self.tabla=Tabla(2, horizontalHeader=["x", "y"], stretch=False, readOnly=True)
tab.addTab(self.tabla, QtGui.QApplication.translate("equipment", "Table"))
self.Comp1.currentIndexChanged.connect(self.calculo)
self.Comp2.currentIndexChanged.connect(self.calculo)
if x and y:
self.rellenar(x, y)
else:
self.calculo()
def rellenar(self, x, y):
self.x=x
self.y=y
self.plot.axes2D.clear()
self.plot.data([0, 1], [0, 1], x, y, 'ro')
self.tabla.setMatrix(transpose([x, y]))
def calculo(self):
ind1=self.Comp1.currentIndex()
ind2=self.Comp2.currentIndex()
if ind1!=ind2:
zi=arange(0.025, 1., 0.025)
id1=self.indices[ind1]
id2=self.indices[ind2]
x=[0]
y=[0]
for z in zi:
try:
fraccion=[0.]*len(self.indices)
fraccion[ind1]=z
fraccion[ind2]=1-z
mez=Mezcla(tipo=3, fraccionMolar=fraccion, caudalMasico=1.)
tb=mez.componente[0].Tb
corr=Corriente(T=tb, P=101325., mezcla=mez)
T=corr.eos._Dew_T()
corr=Corriente(T=T, P=101325., mezcla=mez)
while corr.Liquido.fraccion[0]==corr.Gas.fraccion[0] and corr.T<corr.mezcla.componente[1].Tb:
corr=Corriente(T=corr.T-0.1, P=101325., mezcla=mez)
x.append(corr.Liquido.fraccion[0])
y.append(corr.Gas.fraccion[0])
except:
pass
x.append(1)
y.append(1)
self.rellenar(x, y)
def writeToStream(self, stream):
stream.writeInt32(self.widget().Comp1.currentIndex())
stream.writeInt32(self.widget().Comp2.currentIndex())
stream.writeInt32(len(self.widget().x))
for i in self.widget().x:
stream.writeFloat(i)
for i in self.widget().y:
stream.writeFloat(i)
@classmethod
def readToStream(cls, stream):
id1=stream.readInt32()
id2=stream.readInt32()
len=stream.readInt32()
x=[]
for i in range(len):
x.append(stream.readFloat())
y=[]
for i in range(len):
y.append(stream.readFloat())
self.plot(0, x, y)
class widgetReacciones(QtWidgets.QWidget):
"""Widget con la tabla de reacciones y los botones para modificar la lista de reacciones"""
changed = QtCore.pyqtSignal()
reacciones=[]
reaccion=None
activo=None
ajuste=None
def __init__(self, parent=None):
super(widgetReacciones, self).__init__(parent)
self.indices, self.nombres, M=getComponents()
gridLayout = QtWidgets.QGridLayout(self)
self.TablaReacciones=Tabla(5, horizontalHeader=[QtWidgets.QApplication.translate("pychemqt", "Reaction"), "ΔHr, %s" %unidades.MolarEnthalpy(None).text(), QtWidgets.QApplication.translate("pychemqt", "Type"), QtWidgets.QApplication.translate("pychemqt", "Phase"), QtWidgets.QApplication.translate("pychemqt", "Description")], dinamica=False, verticalHeader=True, orientacion=QtCore.Qt.AlignLeft)
self.TablaReacciones.setMinimumWidth(500)
self.TablaReacciones.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.TablaReacciones.setSelectionMode(QtWidgets.QAbstractItemView.SingleSelection)
self.TablaReacciones.horizontalHeader().setStretchLastSection(True)
self.TablaReacciones.setEditTriggers(QtWidgets.QAbstractItemView.NoEditTriggers)
self.TablaReacciones.itemSelectionChanged.connect(self.actualizarBotones)
gridLayout.addWidget(self.TablaReacciones,1,1,6,4)
self.botonAbrir=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileOpen.png")), QtWidgets.QApplication.translate("pychemqt", "Open"))
self.botonAbrir.clicked.connect(self.botonAbrirClicked)
gridLayout.addWidget(self.botonAbrir,1,5)
self.botonGuardar=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileSave.png")), QtWidgets.QApplication.translate("pychemqt", "Save"))
self.botonGuardar.clicked.connect(self.botonGuardarClicked)
self.botonGuardar.setSizePolicy(QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed)
self.botonGuardar.setEnabled(False)
gridLayout.addWidget(self.botonGuardar,2,5)
self.botonNew=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/fileNew.png")), QtWidgets.QApplication.translate("pychemqt", "New"))
self.botonNew.clicked.connect(self.botonNewClicked)
gridLayout.addWidget(self.botonNew,3,5)
self.botonEdit=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/editor.png")), QtWidgets.QApplication.translate("pychemqt", "Edit"))
self.botonEdit.setEnabled(False)
self.botonEdit.setCheckable(True)
self.botonEdit.clicked.connect(self.botonEditClicked)
gridLayout.addWidget(self.botonEdit,4,5)
self.botonDelete=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/editDelete.png")), QtWidgets.QApplication.translate("pychemqt", "Delete"))
self.botonDelete.setEnabled(False)
self.botonDelete.clicked.connect(self.botonDeleteClicked)
gridLayout.addWidget(self.botonDelete,5,5)
self.botonClear=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/clear.png")), QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonClear.clicked.connect(self.botonClearClicked)
gridLayout.addWidget(self.botonClear,6,5)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),10,1)
def actualizarBotones(self, bool=True):
self.botonEdit.setEnabled(bool)
self.botonDelete.setEnabled(bool)
def botonAbrirClicked(self):
fname = str(QtWidgets.QFileDialog.getOpenFileName(self, QtWidgets.QApplication.translate("pychemqt", "Open reaction file"), "./", QtWidgets.QApplication.translate("pychemqt", "reaction file")+" (*.rec);;"+QtWidgets.QApplication.translate("pychemqt", "All files")+" (*.*)")[0])
if fname:
with open(fname, "r") as archivo:
reacciones=pickle.load(archivo)
print(reacciones)
self.reacciones=reacciones
self.botonGuardar.setEnabled(True)
for fila, reaccion in enumerate(reacciones):
self.TablaReacciones.addRow()
self.TablaReacciones.setValue(fila, 0, reaccion.text)
self.TablaReacciones.setValue(fila, 1, "%0.4e" %reaccion.Hr.config(), QtCore.Qt.AlignRight)
self.TablaReacciones.setValue(fila, 2, str(reaccion.tipo+1)+" - "+reaction.Reaction.TEXT_TYPE[reaccion.tipo])
self.TablaReacciones.setValue(fila, 3, reaction.Reaction.TEXT_PHASE[reaccion.fase])
self.TablaReacciones.item(fila, 4).setFlags(QtCore.Qt.ItemIsEditable|QtCore.Qt.ItemIsEnabled|QtCore.Qt.ItemIsSelectable)
for i in range(4):
self.TablaReacciones.resizeColumnToContents(i)
self.changed.emit()
def botonGuardarClicked(self):
fname = str(QtWidgets.QFileDialog.getSaveFileName(self, QtWidgets.QApplication.translate("pychemqt", "Save reaction to file"), "./", QtWidgets.QApplication.translate("pychemqt", "reaction file")+" (*.rec)")[0])
if fname:
if fname.split(".")[-1]!="rec":
fname+=".rec"
pickle.dump(self.reacciones, open(fname, "w"))
def botonNewClicked(self):
dialog=UI_reacciones(parent=self)
if dialog.exec_():
pass
def botonEditClicked(self, bool):
if bool:
indice=self.TablaReacciones.currentRow()
reaccion=self.reacciones[indice]
dialogo=UI_reacciones(reaccion, self)
dialogo.exec_()
# self.rellenar(self.reaccion)
# self.activo=indice
else:
self.botonAddClicked(self.activo, False)
self.reacciones[self.activo]=self.reaccion
self.TablaReacciones.setCurrentCell(self.activo, 0)
self.activo=-1
self.changed.emit()
self.botonNew.setEnabled(not bool)
self.botonDelete.setEnabled(not bool)
self.botonClear.setEnabled(not bool)
self.botonAdd.setEnabled(not bool)
self.botonAbrir.setEnabled(not bool)
self.botonGuardar.setEnabled(not bool)
def botonDeleteClicked(self):
indice=self.TablaReacciones.currentRow()
self.TablaReacciones.removeRow(indice)
del self.reacciones[indice]
self.TablaReacciones.clearSelection()
self.actualizarBotones(False)
self.changed.emit()
def botonClearClicked(self):
if self.reacciones:
self.reacciones=[]
self.TablaReacciones.setRowCount(0)
self.botonGuardar.setEnabled(False)
def botonAddClicked(self, fila, add=True):
if add:
fila=self.TablaReacciones.rowCount()
self.TablaReacciones.addRow()
self.TablaReacciones.setValue(fila, 0, self.Formula.text())
self.TablaReacciones.setValue(fila, 1, "%0.4e" %self.Hr.value.config(), QtCore.Qt.AlignRight)
self.TablaReacciones.setValue(fila, 2, str(self.tipo.currentIndex()+1)+" - "+self.tipo.currentText())
self.TablaReacciones.setValue(fila, 3, self.Fase.currentText())
self.TablaReacciones.item(fila, 4).setFlags(QtCore.Qt.ItemIsEditable|QtCore.Qt.ItemIsEnabled|QtCore.Qt.ItemIsSelectable)
for i in range(4):
self.TablaReacciones.resizeColumnToContents(i)
self.reacciones.insert(fila, self.reaccion)
self.botonGuardar.setEnabled(True)
self.changed.emit()
def __init__(self, parent=None):
super(Definicion_Petro, self).__init__(parent)
self.setWindowTitle(
QtGui.QApplication.translate("pychemqt",
"Petrol component definition"))
layout = QtGui.QGridLayout(self)
layout.addWidget(
QtGui.QLabel(QtGui.QApplication.translate("pychemqt", "Name")), 1,
1)
self.nombre = QtGui.QLineEdit()
self.nombre.textChanged.connect(partial(self.changeParams, "name"))
layout.addWidget(self.nombre, 1, 2, 1, 4)
layout.addItem(
QtGui.QSpacerItem(10, 10, QtGui.QSizePolicy.Fixed,
QtGui.QSizePolicy.Fixed), 2, 1, 1, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Boiling point")), 3,
1)
self.Tb = Entrada_con_unidades(Temperature)
self.Tb.valueChanged.connect(partial(self.changeParams, "Tb"))
layout.addWidget(self.Tb, 3, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Molecular Weight")),
4, 1)
self.M = Entrada_con_unidades(float, textounidad="g/mol")
self.M.valueChanged.connect(partial(self.changeParams, "M"))
layout.addWidget(self.M, 4, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Specific Gravity")),
5, 1)
self.SG = Entrada_con_unidades(float)
self.SG.valueChanged.connect(partial(self.changeParams, "SG"))
layout.addWidget(self.SG, 5, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "API gravity")), 6, 1)
self.API = Entrada_con_unidades(float)
self.API.valueChanged.connect(partial(self.changeParams, "API"))
layout.addWidget(self.API, 6, 2)
layout.addWidget(QtGui.QLabel("K watson:"), 7, 1)
self.Kw = Entrada_con_unidades(float)
self.Kw.valueChanged.connect(partial(self.changeParams, "Kw"))
layout.addWidget(self.Kw, 7, 2)
layout.addWidget(QtGui.QLabel("C/H:"), 8, 1)
self.CH = Entrada_con_unidades(float)
self.CH.valueChanged.connect(partial(self.changeParams, "CH"))
layout.addWidget(self.CH, 8, 2)
layout.addWidget(QtGui.QLabel(u"ν<sub>100F</sub>:"), 9, 1)
self.v100 = Entrada_con_unidades(Diffusivity)
self.v100.valueChanged.connect(partial(self.changeParams, "v100"))
layout.addWidget(self.v100, 9, 2)
layout.addWidget(QtGui.QLabel(u"ν<sub>210F</sub>:"), 10, 1)
self.v210 = Entrada_con_unidades(Diffusivity)
self.v210.valueChanged.connect(partial(self.changeParams, "v210"))
layout.addWidget(self.v210, 10, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Refraction index")),
11, 1)
self.n = Entrada_con_unidades(float)
self.n.valueChanged.connect(partial(self.changeParams, "n"))
layout.addWidget(self.n, 11, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Huang parameter")),
12, 1)
self.I = Entrada_con_unidades(float)
self.I.valueChanged.connect(partial(self.changeParams, "I"))
layout.addWidget(self.I, 12, 2)
layout.addWidget(QtGui.QLabel("%S"), 13, 1)
self.S = Entrada_con_unidades(float, spinbox=True, step=1.0, max=100)
self.S.valueChanged.connect(partial(self.changeParams, "S"))
layout.addWidget(self.S, 13, 2)
layout.addWidget(QtGui.QLabel("%H"), 14, 1)
self.H = Entrada_con_unidades(float, spinbox=True, step=1.0, max=100)
self.H.valueChanged.connect(partial(self.changeParams, "H"))
layout.addWidget(self.H, 14, 2)
layout.addWidget(QtGui.QLabel("%N"), 15, 1)
self.N = Entrada_con_unidades(float, spinbox=True, step=1.0, max=100)
self.N.valueChanged.connect(partial(self.changeParams, "N"))
layout.addWidget(self.N, 15, 2)
layout.addWidget(
QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Carbons number")),
19, 1)
self.carbonos = Entrada_con_unidades(int,
width=50,
spinbox=True,
step=1,
start=7,
min=5,
max=100)
self.N.valueChanged.connect(partial(self.changeParams, "Nc"))
layout.addWidget(self.carbonos, 19, 2)
layout.addItem(
QtGui.QSpacerItem(10, 10, QtGui.QSizePolicy.Expanding,
QtGui.QSizePolicy.Expanding), 3, 3, 15, 1)
self.checkCurva = QtGui.QCheckBox(
QtGui.QApplication.translate("pychemqt",
"Define destillation curve"))
layout.addWidget(self.checkCurva, 3, 4, 1, 2)
self.tipoCurva = QtGui.QComboBox()
self.tipoCurva.addItem("ASTM D86")
self.tipoCurva.addItem("TBP")
self.tipoCurva.addItem("EFV")
self.tipoCurva.addItem("ASTM D1186")
self.tipoCurva.addItem("ASTM D2887 (SD)")
self.tipoCurva.setEnabled(False)
layout.addWidget(self.tipoCurva, 4, 4, 1, 2)
self.textoPresion = QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Pressure"))
self.textoPresion.setEnabled(False)
layout.addWidget(self.textoPresion, 5, 4)
self.presion = Entrada_con_unidades(Pressure, value=101325.)
self.presion.setEnabled(False)
self.presion.valueChanged.connect(partial(self.changeParams, "P_dist"))
layout.addWidget(self.presion, 5, 5)
self.curvaDestilacion = Tabla(
2,
filas=1,
horizontalHeader=["%dist", "Tb, " + Temperature.text()],
verticalHeader=False,
dinamica=True)
self.curvaDestilacion.setEnabled(False)
self.curvaDestilacion.editingFinished.connect(self.changeCurva)
layout.addWidget(self.curvaDestilacion, 6, 4, 13, 2)
self.checkBlend = QtGui.QCheckBox(
QtGui.QApplication.translate("pychemqt", "Blend if its necessary"))
layout.addWidget(self.checkBlend, 19, 4, 1, 2)
self.checkCurva.toggled.connect(self.tipoCurva.setEnabled)
self.checkCurva.toggled.connect(self.presion.setEnabled)
self.checkCurva.toggled.connect(self.textoPresion.setEnabled)
self.checkCurva.toggled.connect(self.curvaDestilacion.setEnabled)
layout.addItem(
QtGui.QSpacerItem(20, 20, QtGui.QSizePolicy.Fixed,
QtGui.QSizePolicy.Fixed), 20, 1, 1, 2)
self.checkCrudo = QtGui.QCheckBox(
QtGui.QApplication.translate("pychemqt",
"Use petrol fraction from list"))
self.checkCrudo.toggled.connect(self.changeUnknown)
layout.addWidget(self.checkCrudo, 21, 1, 1, 2)
self.crudo = QtGui.QComboBox()
self.crudo.setEnabled(False)
self.crudo.addItem("")
for i in crudo[1:]:
self.crudo.addItem("%s (%s) API: %s %S: %s" %
(i[0], i[1], i[3], i[4]))
# i[0]+" ("+i[1]+")"+" API: "+str(i[3])+" %S: "+str(i[4]))
self.crudo.currentIndexChanged.connect(
partial(self.changeParams, "indice"))
layout.addWidget(self.crudo, 23, 1, 1, 5)
layout.addWidget(QtGui.QLabel("Pseudo C+"), 24, 1)
self.Cplus = Entrada_con_unidades(int,
width=50,
spinbox=True,
step=1,
min=6)
self.Cplus.valueChanged.connect(partial(self.changeParams, "Cplus"))
layout.addWidget(self.Cplus, 24, 2)
self.checkCrudo.toggled.connect(self.crudo.setEnabled)
self.checkCrudo.toggled.connect(self.Cplus.setEnabled)
layout.addItem(
QtGui.QSpacerItem(5, 5, QtGui.QSizePolicy.Expanding,
QtGui.QSizePolicy.Expanding), 29, 1, 1, 2)
newComponent.loadUI(self)
self.Petroleo = Petroleo()
self.Crudo = Crudo()
def __init__(self, elemento, parent=None):
super(ElementDialog, self).__init__(parent)
self.setWindowTitle(
QtWidgets.QApplication.translate("pychemqt",
"Properties of " + elemento.name))
lyt = QtWidgets.QVBoxLayout(self)
tabWidget = QtWidgets.QTabWidget()
lyt.addWidget(tabWidget)
btbox = QtWidgets.QDialogButtonBox(QtWidgets.QDialogButtonBox.Close)
btbox.rejected.connect(self.reject)
lyt.addWidget(btbox)
tabGeneral = QtWidgets.QWidget()
layoutGeneral = QtWidgets.QGridLayout(tabGeneral)
layoutGeneral.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Name:")), 1, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(elemento.name), 1, 2)
layoutGeneral.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Serie:")), 2, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(elemento.serie), 2, 2)
layoutGeneral.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Group")), 3, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(str(elemento.group)), 3, 2)
layoutGeneral.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Period")), 4, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(str(elemento.period)), 4, 2)
layoutGeneral.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Block")), 5, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(elemento.block), 5, 2)
layoutGeneral.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 6, 1)
label = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "History"))
font = QtGui.QFont()
font.setWeight(75)
font.setBold(True)
label.setFont(font)
layoutGeneral.addWidget(label, 7, 1, 1, 3)
label_8 = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Discovery") + ": " +
elemento.country + "(" + elemento.country + ")" + os.linesep +
QtWidgets.QApplication.translate("pychemqt", "Discovered by ") +
elemento.discover + os.linesep +
QtWidgets.QApplication.translate("pychemqt", "Etymology") + ": " +
elemento.etymology)
label_8.setMargin(5)
label_8.setWordWrap(True)
layoutGeneral.addWidget(label_8, 8, 1, 1, 3)
self.botoncito = QtWidgets.QLabel()
self.botoncito.setStyleSheet("background-color: %s;" % elemento.color)
self.botoncito.setFrameShape(QtWidgets.QFrame.StyledPanel)
self.botoncito.setFixedSize(60, 60)
layoutGeneral.addWidget(self.botoncito, 1, 5, 3, 1)
label = QtWidgets.QLabel()
label.setText(str(elemento.id))
label.setAlignment(QtCore.Qt.AlignCenter | QtCore.Qt.AlignBottom)
layoutGeneral.addWidget(label, 1, 5)
label = QtWidgets.QLabel(elemento.symbol)
font.setPointSize(12)
label.setFont(font)
label.setAlignment(QtCore.Qt.AlignCenter | QtCore.Qt.AlignBottom)
layoutGeneral.addWidget(label, 2, 5)
layoutGeneral.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 9, 3)
tabWidget.addTab(
tabGeneral,
QtWidgets.QApplication.translate("pychemqt", "General"))
tabFisica = QtWidgets.QWidget()
lytphy = QtWidgets.QGridLayout(tabFisica)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Fase:")), 1, 1)
lytphy.addWidget(QtWidgets.QLabel(elemento.phase + " a 0ºC"), 1, 2, 1,
1)
if elemento.density_Solid:
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Solid Density:")), 2, 1)
lytphy.addWidget(
self.drawData(unidades.Density,
elemento.density_Solid,
"gcc",
txt=" @ 20ºC"), 2, 2)
if elemento.density_Liq:
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Liquid Density:")), 3, 1)
lytphy.addWidget(
self.drawData(unidades.Density,
elemento.density_Liq,
"gcc",
txt=" " + QtWidgets.QApplication.translate(
"pychemqt", "at melting point")), 3, 2)
if elemento.density_Gas:
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Gas Density:")), 4, 1)
lytphy.addWidget(
self.drawData(unidades.Density,
elemento.density_Gas,
"gl",
txt=" @ 0ºC"), 4, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Appearance:")),
5, 1)
label = QtWidgets.QLabel(elemento.appearance)
label.setWordWrap(True)
lytphy.addWidget(label, 5, 2)
lytphy.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 6, 1, 1, 3)
label = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Thermal properties"))
label.setFont(font)
lytphy.addWidget(label, 7, 1)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Melting point:")), 8, 1)
self.punto_fusion = self.drawData(unidades.Temperature, elemento.Tf)
lytphy.addWidget(self.punto_fusion, 8, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Boiling point:")), 9, 1)
self.punto_ebullicion = self.drawData(unidades.Temperature,
elemento.Tb)
lytphy.addWidget(self.punto_ebullicion, 9, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Heat of fusion:")), 10, 1)
self.calor_fusion = self.drawData(unidades.MolarEnthalpy,
elemento.Heat_f, "kJkmol")
lytphy.addWidget(self.calor_fusion, 10, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Heat of vaporization:")), 11,
1)
self.calor_vaporizacion = self.drawData(unidades.MolarEnthalpy,
elemento.Heat_b, "kJkmol")
lytphy.addWidget(self.calor_vaporizacion, 11, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Specific heat capacity:")),
12, 1)
self.capacidad_calorifica = self.drawData(unidades.SpecificHeat,
elemento.Cp, "JgK")
lytphy.addWidget(self.capacidad_calorifica, 12, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Thermal conductivity:")), 13,
1)
self.conductividad_termica = self.drawData(
unidades.ThermalConductivity, elemento.k, txt=" @ 300K")
lytphy.addWidget(self.conductividad_termica, 13, 2)
lytphy.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Debye Temperature:")), 14, 1)
self.temperatura_debye = self.drawData(unidades.Temperature,
elemento.T_debye)
lytphy.addWidget(self.temperatura_debye, 14, 2)
lytphy.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 15, 1, 1,
3)
tabWidget.addTab(
tabFisica,
QtWidgets.QApplication.translate("pychemqt",
"Physical properties"))
tabAtom = QtWidgets.QWidget()
lyt_A = QtWidgets.QGridLayout(tabAtom)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Atomic mass:")),
1, 1)
if elemento.atomic_mass:
self.masa_atomica = QtWidgets.QLabel(
str(elemento.atomic_mass) + " g/mol")
else:
self.masa_atomica = QtWidgets.QLabel(elemento.atomic_mass)
lyt_A.addWidget(self.masa_atomica, 1, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Atomic Volume:")), 2, 1)
self.volumen_atomico = self.drawData(unidades.MolarVolume,
elemento.atomic_volume)
lyt_A.addWidget(self.volumen_atomico, 2, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Atomic radius:")), 3, 1)
if elemento.atomic_radius:
self.radio_atomico = QtWidgets.QLabel(
str(elemento.atomic_radius) + " pm")
else:
self.radio_atomico = QtWidgets.QLabel(str(elemento.atomic_radius))
lyt_A.addWidget(self.radio_atomico, 3, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Covalent radius:")), 4, 1)
if elemento.covalent_radius:
self.radio_covalente = QtWidgets.QLabel(
str(elemento.covalent_radius) + " pm")
else:
self.radio_covalente = QtWidgets.QLabel(
str(elemento.covalent_radius))
lyt_A.addWidget(self.radio_covalente, 4, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Van der Waals radius:")), 5,
1)
if elemento.vanderWaals_radius:
self.radio_waals = QtWidgets.QLabel(
str(elemento.vanderWaals_radius) + " pm")
else:
self.radio_waals = QtWidgets.QLabel(
str(elemento.vanderWaals_radius))
lyt_A.addWidget(self.radio_waals, 5, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Ionic radii:")),
6, 1)
if elemento.ionic_radii:
self.radio_ionico = QtWidgets.QLabel(
str(elemento.ionic_radii) + " pm")
else:
self.radio_ionico = QtWidgets.QLabel(str(elemento.ionic_radii))
lyt_A.addWidget(self.radio_ionico, 6, 2)
lyt_A.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 7, 1, 1, 3)
label = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Electronic properties"))
label.setFont(font)
lyt_A.addWidget(label, 8, 1)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Electronic configuration:")),
9, 1)
lyt_A.addWidget(QtWidgets.QLabel(elemento.electron_configuration), 9,
2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Oxidation states:")), 10, 1)
lyt_A.addWidget(QtWidgets.QLabel(elemento.oxidation), 10, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Electronegativity:")), 11, 1)
lyt_A.addWidget(QtWidgets.QLabel(str(elemento.electronegativity)), 11,
2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Electron affinity:")), 12, 1)
self.afinidad_electronica = self.drawData(unidades.MolarEnthalpy,
elemento.electron_affinity,
"kJkmol")
lyt_A.addWidget(self.afinidad_electronica, 12, 2)
lyt_A.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"1st ionization energy:")),
13, 1)
self.energia_ionizacion = self.drawData(unidades.MolarEnthalpy,
elemento.first_ionization,
"kJkmol")
lyt_A.addWidget(self.energia_ionizacion, 13, 2)
lyt_A.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 14, 1, 1,
3)
tabWidget.addTab(
tabAtom,
QtWidgets.QApplication.translate("pychemqt", "Atomic properties"))
tabCristal = QtWidgets.QWidget()
lyt_C = QtWidgets.QGridLayout(tabCristal)
lyt_C.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Lattice type:")),
1, 1)
lyt_C.addWidget(QtWidgets.QLabel(elemento.lattice_type), 1, 2)
lyt_C.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Space group:")),
2, 1)
lyt_C.addWidget(QtWidgets.QLabel(elemento.space_group), 2, 2)
lyt_C.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Lattice edge lengths:")), 3,
1)
self.lados = QtWidgets.QLabel()
if elemento.lattice_edges:
self.lados.setText(
"%spm, %spm, %spm" %
(elemento.lattice_edges[0], elemento.lattice_edges[1],
elemento.lattice_edges[2]))
else:
self.lados.setText(elemento.lattice_edges)
lyt_C.addWidget(self.lados, 3, 2)
lyt_C.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Lattice angles:")), 4, 1)
self.angulos = QtWidgets.QLabel()
if elemento.lattice_angles:
self.angulos.setText(
"%sº, %sº, %sº" %
(elemento.lattice_angles[0], elemento.lattice_angles[1],
elemento.lattice_angles[2]))
else:
self.angulos.setText(elemento.lattice_angles)
lyt_C.addWidget(self.angulos, 4, 2)
lyt_C.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Lattice unit volume:")), 5,
1)
self.volumen_celda = QtWidgets.QLabel()
if elemento.lattice_angles:
self.volumen_celda.setText("%0.5f mm<sup>3</sup>" %
elemento.lattice_volume)
else:
self.volumen_celda.setText(elemento.lattice_volume)
lyt_C.addWidget(self.volumen_celda, 5, 2)
lyt_C.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 6, 1, 1, 3)
label = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Isotopes"))
label.setFont(font)
lyt_C.addWidget(label, 8, 1)
title = [
QtWidgets.QApplication.translate("pychemqt", "Mass Number"),
QtWidgets.QApplication.translate("pychemqt", "Mass"),
QtWidgets.QApplication.translate("pychemqt", "Abundance")
]
self.isotopes = Tabla(3,
horizontalHeader=title,
readOnly=True,
stretch=True,
verticalHeader=False)
self.isotopes.setSelectionBehavior(
QtWidgets.QAbstractItemView.SelectRows)
self.isotopes.setColumn(0, [iso[0] for iso in elemento.isotopes],
decimales=0)
self.isotopes.setColumn(1, [iso[1] for iso in elemento.isotopes],
format=1,
decimales=10)
self.isotopes.setColumn(2, [iso[2] for iso in elemento.isotopes],
format=1,
decimales=10)
lyt_C.addWidget(self.isotopes, 9, 1, 1, 2)
lyt_C.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 10, 1, 1,
3)
tabWidget.addTab(
tabCristal,
QtWidgets.QApplication.translate("pychemqt", "Crystallographic"))
class UI_reacciones(QtWidgets.QDialog):
reaction=reaction.Reaction()
def __init__(self, reaccion=None, parent=None):
super(UI_reacciones, self).__init__(parent)
self.evaluate=Evaluate()
self.evaluate.finished.connect(self.rellenar)
self.indices, self.nombres, M=getComponents()
gridLayout = QtWidgets.QGridLayout(self)
lyt=QtWidgets.QHBoxLayout()
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Key component")))
self.key=QtWidgets.QComboBox()
for i, nombre in enumerate(self.nombres):
self.key.addItem("%i - %s" %(i+1, nombre))
self.key.currentIndexChanged.connect(partial(self.changeParams, "key"))
lyt.addWidget(self.key)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt,1,1,1,5)
lyt=QtWidgets.QHBoxLayout()
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Phase")))
self.fase=QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_PHASE:
self.fase.addItem(txt)
self.fase.currentIndexChanged.connect(partial(self.changeParams, "fase"))
lyt.addWidget(self.fase)
self.Formula=QtWidgets.QLabel()
self.Formula.setAlignment(QtCore.Qt.AlignCenter)
self.Formula.setSizePolicy(QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Fixed)
lyt.addWidget(self.Formula)
gridLayout.addLayout(lyt,2,1,1,5)
lyt=QtWidgets.QVBoxLayout()
title=self.nombres[:]
title.append("")
self.Estequiometria=Tabla(1, verticalHeaderLabels=title, horizontalHeader=[QtWidgets.QApplication.translate("pychemqt", "Coefficients")], filas=len(self.indices))
self.Estequiometria.setFixedHeight(22*len(self.indices)+22+4+22)
lyt.addWidget(self.Estequiometria)
self.Estequiometria.addRow()
brush=QtGui.QBrush(QtGui.QColor("#eaeaea"))
self.Estequiometria.item(len(self.indices), 0).setBackground(brush)
self.Estequiometria.item(len(self.indices), 0).setFlags(QtCore.Qt.NoItemFlags)
self.Estequiometria.cellChanged.connect(self.reaccionCambiada)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt,3,1,1,2)
lyt=QtWidgets.QGridLayout()
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed),1,1)
self.formula=QtWidgets.QCheckBox(QtWidgets.QApplication.translate("pychemqt", "Use name in formula"))
self.formula.toggled.connect(partial(self.changeParams, "formula"))
lyt.addWidget(self.formula,1,2,1,2)
self.customHr=QtWidgets.QCheckBox("ΔHr "+QtWidgets.QApplication.translate("pychemqt", "user specified"))
self.customHr.toggled.connect(self.changeHr)
lyt.addWidget(self.customHr,2,2,1,2)
lyt.addWidget(QtWidgets.QLabel("ΔHr<sup>o</sup>"),3,2)
self.Hr=Entrada_con_unidades(unidades.MolarEnthalpy, readOnly=True)
self.Hr.valueChanged.connect(partial(self.changeParams, "Hr"))
lyt.addWidget(self.Hr,3,3)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt,3,3,1,2)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed),4,2)
lyt=QtWidgets.QHBoxLayout()
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Type")))
self.tipo=QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_TYPE:
self.tipo.addItem(txt)
self.tipo.currentIndexChanged.connect(partial(self.changeParams, "tipo"))
lyt.addWidget(self.tipo)
lyt.addItem(QtWidgets.QSpacerItem(20,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed))
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Concentration")))
self.base=QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_BASE:
self.base.addItem(txt)
self.base.currentIndexChanged.connect(partial(self.changeParams, "base"))
lyt.addWidget(self.base)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt,5,1,1,5)
self.stacked = QtWidgets.QStackedWidget()
self.tipo.currentIndexChanged.connect(self.stacked.setCurrentIndex)
gridLayout.addWidget(self.stacked,6,1,1,5)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),7,1,1,5)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
lyt.addWidget(QtWidgets.QLabel("<h3>"+QtWidgets.QApplication.translate("pychemqt", "Estequiometric reaction")+"</h3>"),1,1,1,4)
self.Conversion=Tabla(1, verticalHeaderModel="C", filas=3)
self.Conversion.setConnected()
self.Conversion.setFixedWidth(100)
lyt.addWidget(self.Conversion,2,1,3,1)
label=QtWidgets.QLabel()
label.setPixmap(QtGui.QPixmap(os.environ["pychemqt"]+"/images/equation/reaction_conversion.png"))
lyt.addWidget(label,2,2,1,3)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Temperature unit")),3,2)
self.unidadesTemperatura=QtWidgets.QComboBox()
for i in unidades.Temperature.__text__:
self.unidadesTemperatura.addItem(i)
lyt.addWidget(self.unidadesTemperatura,3,3)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),4,4)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),5,1,1,5)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
self.check_KFijo=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "Fixed"))
self.check_KFijo.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KFijo,1,1,1,2)
lyt.addWidget(QtWidgets.QLabel("K<sub>eq</sub>"),1,3)
self.Keq=Entrada_con_unidades(float)
lyt.addWidget(self.Keq,1,4)
label=QtWidgets.QLabel()
label.setPixmap(QtGui.QPixmap(os.environ["pychemqt"]+"/images/equation/reaction_equilibrium.png"))
lyt.addWidget(label,1,5,1,4)
self.check_KEq=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "Equation"))
self.check_KEq.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KEq,2,1,1,2)
self.check_KTabla=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "Table"))
self.check_KTabla.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KTabla,2,5,1,2)
self.KEq_Dat=Tabla(1, verticalHeaderLabels=["A", "B", "C", "D", "E", "F", "G", "H"], filas=8)
self.KEq_Dat.setFixedHeight(22*8+4)
self.KEq_Dat.setFixedWidth(120)
lyt.addWidget(self.KEq_Dat,3,3,1,2)
self.KEq_Tab=Tabla(4, horizontalHeader=["T, K", "Keq", "Kcalc", "%Error"], verticalHeader=False, columnReadOnly=[False, False, True, True])
self.KEq_Tab.setSizePolicy(QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding)
self.KEq_Tab.setFixedWidth(400)
self.KEq_Tab.setConnected()
self.KEq_Tab.rowFinished.connect(self.Regresion)
self.KEq_Tab.setAlternatingRowColors(False)
lyt.addWidget(self.KEq_Tab,3,5,1,4)
lyt.addWidget(QtWidgets.QLabel("r²"),4,5)
self.r2=Entrada_con_unidades(float, readOnly=True)
lyt.addWidget(self.r2,4,6)
self.botonTablaPlot=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/plot.png")), QtWidgets.QApplication.translate("pychemqt", "Plot"))
self.botonTablaPlot.clicked.connect(self.Plot)
lyt.addWidget(self.botonTablaPlot,4,7)
self.botonTablaClear=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/clear.png")), QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonTablaClear.clicked.connect(self.KEq_Tab.clear)
lyt.addWidget(self.botonTablaClear,4,8)
label=QtWidgets.QLabel()
label.setPixmap(QtGui.QPixmap(os.environ["pychemqt"]+"/images/equation/reaction_equilibrium2.png"))
label.setAlignment(QtCore.Qt.AlignCenter)
lyt.addWidget(label,5,1,1,8)
self.checkGibbs=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "From Gibbs free energy minimization"))
lyt.addWidget(self.checkGibbs,6,1,1,4)
self.check_KFijo.setChecked(True)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
self.status=Status()
gridLayout.addWidget(self.status, 10,1)
self.buttonBox = QtWidgets.QDialogButtonBox(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
self.buttonBox.accepted.connect(self.accept)
self.buttonBox.rejected.connect(self.reject)
gridLayout.addWidget(self.buttonBox,10,2,1,4)
if reaccion:
self.setReaction(reaccion)
def changeParams(self, parametro, valor):
self.calculo(**{parametro: valor})
def calculo(self, **kwargs):
self.status.setState(4)
self.evaluate.start(self.reaction, kwargs)
def changeHr(self, bool):
self.Hr.setReadOnly(not bool)
self.changeParams("customHr", bool)
def reaccionCambiada(self):
kwargs={"componentes": self.indices,
"coeficientes": self.Estequiometria.getColumn(0)[:-1]}
self.calculo(**kwargs)
def setReaction(self, reaction):
self.reaction=reaction
self.rellenar()
# if self.Estequiometria.getValue(0, self.Base.currentIndex()):
# reaccion=reaction.Reaction(self.indices, self.Estequiometria.getColumn(0), base=self.Base.currentIndex(), estequiometria=[0, 0, 0.5], formulas=self.checkFormula.isChecked(), calor=self.checkCalorEspecificado.isChecked(), Hr=self.Hr.value, tipo=self.tipo.currentIndex(), conversion=self.Conversion.getColumn(0)[-1::-1])
# self.Balance.setValue(reaccion.error)
# if reaccion.state:
# self.Formula.setText(reaccion._txt(self.checkFormula.isChecked()))
# self.Hr.setValue(reaccion.Hr)
# else:
# self.Formula.clear()
# self.Hr.clear()
# self.botonAdd.setEnabled(reaccion.state and not self.botonEdit.isChecked())
# self.reaccion=reaccion
def rellenar(self):
self.blockSignals(True)
for variable in self.reaction.kwargsValue:
self.__getattribute__(variable).setValue(self.reaction.kwargs[variable])
for combo in self.reaction.kwargsList:
self.__getattribute__(combo).setCurrentIndex(self.reaction.kwargs[combo])
for check in self.reaction.kwargsCheck:
self.__getattribute__(check).setChecked(self.reaction.kwargs[check])
self.Estequiometria.setColumn(0, self.reaction.kwargs["coeficientes"])
# self.Conversion.setColumn(0, self.reaction.estequiometria[-1::-1])
self.blockSignals(False)
self.status.setState(self.reaction.status, self.reaction.msg)
self.Estequiometria.item(len(self.indices), 0).setText(str(self.reaction.error))
if self.reaction.status:
self.Formula.setText(self.reaction._txt())
self.Hr.setValue(self.reaction.Hr)
def KeqChanged(self):
self.Keq.setReadOnly(not self.check_KFijo.isChecked())
self.KEq_Dat.setEnabled(self.check_KEq.isChecked())
self.KEq_Tab.setEnabled(self.check_KTabla.isChecked())
self.botonTablaClear.setEnabled(self.check_KTabla.isChecked())
self.botonTablaPlot.setEnabled(self.check_KTabla.isChecked())
def Regresion(self):
t=array(self.KEq_Tab.getColumn(0)[:-1])
k=array(self.KEq_Tab.getColumn(1)[:-1])
if len(t)>=4:
if 4<=len(t)<8:
inicio=r_[0, 0, 0, 0]
f=lambda par, T: exp(par[0]+par[1]/T+par[2]*log(T)+par[3]*T)
resto=lambda par, T, k: k-f(par, T)
else:
inicio=r_[0, 0, 0, 0, 0, 0, 0, 0]
f=lambda par, T: exp(par[0]+par[1]/T+par[2]*log(T)+par[3]*T+par[4]*T**2+par[5]*T**3+par[6]*T**4+par[7]*T**5)
resto=lambda par, T, k: k-f(par, T)
ajuste=leastsq(resto,inicio,args=(t, k))
kcalc=f(ajuste[0], t)
error=(k-kcalc)/k*100
self.KEq_Dat.setColumn(0, ajuste[0])
self.KEq_Tab.setColumn(2, kcalc)
self.KEq_Tab.setColumn(3, error)
if ajuste[1] in [1, 2, 3, 4]:
self.ajuste=ajuste[0]
def Plot(self):
if self.ajuste!=None:
t=array(self.KEq_Tab.getColumn(0)[:-1])
k=array(self.KEq_Tab.getColumn(1)[:-1])
if 4<=len(t)<8:
f=lambda par, T: exp(par[0]+par[1]/T+par[2]*log(T)+par[3]*T)
else:
f=lambda par, T: exp(par[0]+par[1]/T+par[2]*log(T)+par[3]*T+par[4]*T**2+par[5]*T**3+par[6]*T**4+par[7]*T**5)
grafico=plot.Plot()
grafico.data(t, k, 'ro', t, f(self.ajuste, t))
grafico.exec_()
class UI_equipment(UI_equip):
"""Spreadsheet interaction equipment edition dialog"""
Equipment = Spreadsheet()
def __init__(self, equipment=None, project=None, parent=None):
"""
equipment: Initial equipment instance to model
"""
super().__init__(Spreadsheet, entrada=True, salida=True,
calculo=False, parent=parent)
self.project = project
# Calculate tab
layout = QtWidgets.QGridLayout(self.Entrada)
label = QtWidgets.QApplication.translate(
"pychemqt", "Spreadsheet path")+":"
msg = QtWidgets.QApplication.translate(
"pychemqt", "Select Spreadsheet")
patrones = []
if os.environ["ezodf"]:
patrones.append(QtWidgets.QApplication.translate(
"pychemqt", "Libreoffice spreadsheet files")+" (*.ods)")
if os.environ["xlwt"]:
patrones.append(QtWidgets.QApplication.translate(
"pychemqt", "Microsoft Excel 97/2000/XP/2003 XML")+" (*.xls)")
if os.environ["openpyxl"]:
patrones.append(QtWidgets.QApplication.translate(
"pychemqt", "Microsoft Excel 2007/2010 XML")+" (*.xlsx)")
patron = ";;".join(patrones)
self.filename = PathConfig(label, msg=msg, patron=patron)
self.filename.valueChanged.connect(self.changeSpreadsheet)
layout.addWidget(self.filename, 1, 1)
header = [QtWidgets.QApplication.translate("pychemqt", "Entity"),
QtWidgets.QApplication.translate("pychemqt", "Variable"),
QtWidgets.QApplication.translate("pychemqt", "Unit value"),
QtWidgets.QApplication.translate("pychemqt", "Sheet"),
QtWidgets.QApplication.translate("pychemqt", "Cell")]
self.datamap = Tabla(
5, filas=1, dinamica=True, horizontalHeader=header,
verticalHeader=False, orientacion=QtCore.Qt.AlignLeft,
delegate=None, delegateforRow=TableDelegate, parent=self)
self.datamap.setEnabled(False)
self.datamap.cellChanged.connect(self.cellChanged)
self.datamap.rowFinished.connect(self.addRow)
layout.addWidget(self.datamap, 2, 1)
layout.addItem(QtWidgets.QSpacerItem(
10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 10, 1)
entitys = []
for stream in list(self.project.streams.keys()):
entitys.append("s%i" % stream)
for equip in list(self.project.items.keys()):
if equip[0] == "e":
entitys.append(equip)
self.datamap.itemDelegateForRow(0).setItemsByIndex(0, entitys)
self.entitys = entitys
if equipment:
self.setEquipment(equipment)
def changeSpreadsheet(self, path):
self.datamap.setEnabled(bool(path))
self.changeParams("filename", str(path))
self.datamap.blockSignals(True)
self.datamap.clear()
self.datamap.blockSignals(False)
spreadsheet = ezodf.opendoc(path)
sheets = [name for name in spreadsheet.sheets.names()]
self.datamap.itemDelegateForRow(0).setItemsByIndex(3, sheets)
def rellenarInput(self):
self.blockSignals(True)
self.datamap.itemDelegateForRow(
self.datamap.rowCount()-1).setItemsByIndex(0, self.entitys)
if self.Equipment.status:
self.datamap.setEnabled(True)
self.filename.setText(self.Equipment.kwargs["filename"])
self.datamap.itemDelegateForRow(0).setItemsByIndex(
3, self.Equipment.sheets)
self.datamap.blockSignals(True)
self.datamap.clear()
if self.Equipment.kwargs["datamap"]:
for i, data in enumerate(self.Equipment.kwargs["datamap"]):
self.datamap.addRow()
self.datamap.itemDelegateForRow(i).setItemsByIndex(
0, self.entitys)
self.datamap.itemDelegateForRow(i).setItemsByIndex(
3, self.Equipment.sheets)
self.datamap.setItem(
i, 0, QtWidgets.QTableWidgetItem(data["entity"]))
self.datamap.setItem(
i, 1, QtWidgets.QTableWidgetItem(data["property"]))
self.datamap.setItem(
i, 2, QtWidgets.QTableWidgetItem(data["unit"]))
self.datamap.setItem(
i, 3, QtWidgets.QTableWidgetItem(data["sheet"]))
self.datamap.setItem(
i, 4, QtWidgets.QTableWidgetItem(data["cell"]))
self.datamap.itemDelegateForRow(
self.datamap.rowCount()-1).setItemsByIndex(0, self.entitys)
self.datamap.itemDelegateForRow(
self.datamap.rowCount()-1).setItemsByIndex(
3, self.Equipment.sheets)
self.datamap.blockSignals(False)
self.blockSignals(False)
def rellenar(self):
self.rellenarInput()
self.status.setState(self.Equipment.status, self.Equipment.msg)
def cellChanged(self, i, j):
obj = self.project.getObject(str(self.datamap.item(i, 0).text()))
properties = [prop[0] for prop in obj.propertiesNames()]
if j == 0: # Entity cambiado, cambiar variables disponibles
self.datamap.itemDelegateForRow(i).setItemsByIndex(1, properties)
editor = QtWidgets.QComboBox()
editor.addItems(self.datamap.itemDelegateForRow(i).items[1])
self.datamap.setColumnWidth(1, editor.sizeHint().width())
elif j == 1: # Variable cambiada, cambiar unidades disponibles
value = self.datamap.item(i, 1).text()
ind = properties.index(value)
if obj.propertiesUnit()[ind] == str:
self.datamap.itemDelegateForRow(i).setItemsByIndex(2, [" "])
self.datamap.item(i, 2).setText(" ")
else:
self.datamap.itemDelegateForRow(i).setItemsByIndex(
2, obj.propertiesNames()[ind][2].__text__)
elif j == 3:
self.datamap.item(i, 4).setText("")
def addRow(self, fila):
datamap = self.Equipment.kwargs["datamap"][:]
data = {}
data["entity"] = str(fila[0])
data["property"] = str(fila[1])
data["unit"] = str(fila[2])
data["sheet"] = str(fila[3])
data["cell"] = str(fila[4])
datamap.append(data)
self.changeParams("datamap", datamap)
class InputTableWidget(QtWidgets.QWidget):
"""Table data input dialog"""
def __init__(self, columnas, data=None, t=[], property=[],
horizontalHeader=[], title="", DIPPR=False, hasTc=0,
Tc=None, eq=1, unit=[], parent=None):
"""
data: mrray with original data
t: values for x column, generally temperature
property: values for 2...n columns
horizontalHeader: List with column title
DIPPR: boolean to show DIPPR widget
hasTc: boolean to show critical temperature (some DIPPR eq need it)
Tc: value for critical temperature
eq: Value for DIPPR equation
unit: List of unidades classes for column definition
"""
super(InputTableWidget, self).__init__(parent)
self.columnas = columnas
self.title = title
self.unit = unit
gridLayout = QtWidgets.QGridLayout(self)
gridLayout.setContentsMargins(0, 0, 0, 0)
openButton = QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(
os.environ["pychemqt"]+"/images/button/fileOpen.png")), "")
openButton.setToolTip(QtWidgets.QApplication.translate(
"pychemqt", "Load data from a file"))
openButton.clicked.connect(self.open)
gridLayout.addWidget(openButton, 1, 1)
saveButton = QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(
os.environ["pychemqt"]+"/images/button/fileSave.png")), "")
saveButton.setToolTip(QtWidgets.QApplication.translate(
"pychemqt", "Save data to a file"))
saveButton.clicked.connect(self.save)
gridLayout.addWidget(saveButton, 1, 2)
clearButton = QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(
os.environ["pychemqt"]+"/images/button/clear.png")), "")
clearButton.setToolTip(QtWidgets.QApplication.translate(
"pychemqt", "Clear data"))
clearButton.clicked.connect(self.delete)
gridLayout.addWidget(clearButton, 1, 3)
gridLayout.addItem(QtWidgets.QSpacerItem(
0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed), 1, 4)
self.tabla = Tabla(self.columnas, horizontalHeader=horizontalHeader,
verticalHeader=False, stretch=False)
self.tabla.setConnected()
if unit:
hHeader = []
for unit, title in zip(self.unit, horizontalHeader):
hHeader.append("%s, %s" % (title, unit.text()))
self.tabla.setHorizontalHeaderLabels(hHeader)
self.tabla.horizontalHeader().sectionClicked.connect(self.editUnit)
if data:
self.tabla.setData(data)
self.tabla.addRow()
elif t and property:
self.tabla.setColumn(0, t)
self.tabla.setColumn(1, property)
gridLayout.addWidget(self.tabla, 2, 1, 1, 4)
if DIPPR:
self.eqDIPPR = eqDIPPR(eq)
gridLayout.addWidget(self.eqDIPPR, 3, 1, 1, 4)
self.eqDIPPR.eqDIPPR.valueChanged.connect(self.showTc)
self.labelTc = QtWidgets.QLabel("Tc: ", self)
gridLayout.addWidget(self.labelTc, 4, 1)
self.tc = Entrada_con_unidades(Temperature, value=Tc)
gridLayout.addWidget(self.tc, 4, 2, 1, 3)
self.showTc(1)
def showTc(self, value):
"""Show/hide Tc widget"""
self.labelTc.setVisible(value in (7, 9))
self.tc.setVisible(value in (7, 9))
def open(self):
"""Load data from a test file"""
fname, ext = QtWidgets.QFileDialog.getOpenFileName(
self,
QtWidgets.QApplication.translate("pychemqt", "Open text file"),
"./")
if fname:
try:
# Numpy raise error if use the fname directly and find a
# non-latin1 character, inclusive in comment lines
with open(fname, "rb") as file:
data = loadtxt(file)
self.delete()
self.tabla.setData(data)
except ValueError as er:
# Raise a error msg if the file can load by loadtxt, the user
# can select any type of file and the input error is possible
title = QtWidgets.QApplication.translate(
"pychemqt", "Failed to load file")
msg = fname + "\n" + er.args[0]
QtWidgets.QMessageBox.critical(self, title, msg)
def save(self):
"""Save currend data of table to a file"""
fname, ext = QtWidgets.QFileDialog.getSaveFileName(
self,
QtWidgets.QApplication.translate("pychemqt", "Save data to file"),
"./")
if fname:
with open(fname, 'w') as file:
file.write("#"+self.title+"\n")
file.write("#")
for i in range(self.tabla.columnCount()):
item = self.tabla.horizontalHeaderItem(i)
file.write(item.text()+"\t")
file.write("\n")
data = self.data
for fila in range(len(data)):
for columna in range(self.tabla.columnCount()):
file.write(str(data[fila][columna])+"\t")
file.write("\n")
def delete(self):
"""Clear table"""
self.tabla.setRowCount(0)
self.tabla.clearContents()
self.tabla.addRow()
@property
def data(self):
return self.tabla.getData()
def column(self, column, magnitud=None, unit="conf"):
"""
column: column to get
magnitud: magnitud to get the values
unit: unit of the values in table"""
data = self.tabla.getColumn(column)
if self.unit:
magnitud = self.unit[column]
tx = self.tabla.horizontalHeaderItem(column).text().split(", ")[-1]
unit = magnitud.__units__[magnitud.__text__.index(tx)]
if magnitud is not None:
data = [magnitud(x, unit) for x in data]
return data
def editUnit(self, col):
"""Show dialog to config input unit"""
unit = self.unit[col]
widget = QtWidgets.QComboBox(self.tabla)
for txt in unit.__text__:
widget.addItem(txt)
txt = self.tabla.horizontalHeaderItem(col).text().split(", ")[-1]
widget.setCurrentText(txt)
# Define Unit combobox geometry
size = self.tabla.horizontalHeader().sectionSize(col)
pos = self.tabla.horizontalHeader().sectionPosition(col)
h = self.tabla.horizontalHeader().height()
geometry = QtCore.QRect(pos, 0, size, h)
widget.setGeometry(geometry)
widget.currentIndexChanged["int"].connect(
partial(self.updateHeader, col))
widget.show()
widget.showPopup()
def updateHeader(self, col, index):
"""Change the text in header"""
widget = self.sender()
txt = self.tabla.horizontalHeaderItem(col).text()
newtxt = "%s, %s" % (txt.split(",")[0], widget.currentText())
self.tabla.setHorizontalHeaderItem(
col, QtWidgets.QTableWidgetItem(newtxt))
widget.close()
def __init__(self, ids, EoSIndex=0, parent=None):
"""Constructor"""
super(Ui_BIP, self).__init__(parent)
self.setWindowTitle(
QtWidgets.QApplication.translate(
"pychemqt", "BIP (Binary interaction parameters)"))
lyt = QtWidgets.QGridLayout(self)
lyt.addWidget(QtWidgets.QLabel("EoS"), 1, 1)
self.eleccion = QtWidgets.QComboBox()
lyt.addWidget(self.eleccion, 1, 2)
lyt.addItem(
QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.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("SELECT id, name FROM compuestos WHERE id==%i" %
cmp)
names.append("%4i - %s" % databank.fetchone())
args = (len(ids), len(ids))
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.eleccion.addItem(EoS)
k = Kij(ids, EoS)
widget = QtWidgets.QWidget()
lyt2 = QtWidgets.QVBoxLayout(widget)
lyt2.addWidget(QtWidgets.QLabel(title.get(EoS, "Kij")))
table1 = Tabla(*args, **kw)
lyt2.addWidget(table1)
# Special case for NRTL with two interaction parameters matrix
if EoS == "NRTL":
lyt2.addWidget(QtWidgets.QLabel("α"))
table2 = Tabla(*args, **kw)
lyt2.addWidget(table2)
kij, aij = k
table1.setData(kij)
table2.setData(aij)
table1.resizeColumnsToContents()
table2.resizeColumnsToContents()
else:
table1.setData(k)
table1.resizeColumnsToContents()
self.stacked.addWidget(widget)
self.eleccion.currentIndexChanged.connect(self.stacked.setCurrentIndex)
button = QtWidgets.QDialogButtonBox(QtWidgets.QDialogButtonBox.Cancel
| QtWidgets.QDialogButtonBox.Ok)
button.accepted.connect(self.accept)
button.rejected.connect(self.reject)
lyt.addWidget(button, 3, 1, 1, 3)
self.eleccion.setCurrentIndex(EoSIndex)
def __init__(self, equipment=None, project=None, parent=None):
"""
equipment: Initial equipment instance to model
"""
super(UI_equipment, self).__init__(Spreadsheet,
entrada=True,
salida=True,
calculo=False,
parent=parent)
self.project = project
# Calculate tab
layout = QtGui.QGridLayout(self.entrada)
label = QtGui.QApplication.translate("pychemqt",
"Spreadsheet path") + ":"
msg = QtGui.QApplication.translate("pychemqt", "Select Spreadsheet")
patrones = QtCore.QStringList()
if os.environ["ezodf"]:
patrones.append(
QtGui.QApplication.translate(
"pychemqt", "Libreoffice spreadsheet files") + " (*.ods)")
# if os.environ["xlwt"]:
# patrones.append(QtGui.QApplication.translate(
# "pychemqt", "Microsoft Excel 97/2000/XP/2003 XMLL")+ " (*.xls)")
if os.environ["openpyxl"]:
patrones.append(
QtGui.QApplication.translate(
"pychemqt", "Microsoft Excel 2007/2010 XML") + " (*.xlsx)")
patron = patrones.join(";;")
self.filename = PathConfig(label, msg=msg, patron=patron)
self.filename.valueChanged.connect(self.changeSpreadsheet)
layout.addWidget(self.filename, 1, 1)
header = [
QtGui.QApplication.translate("pychemqt", "Entity"),
QtGui.QApplication.translate("pychemqt", "Variable"),
QtGui.QApplication.translate("pychemqt", "Unit value"),
QtGui.QApplication.translate("pychemqt", "Sheet"),
QtGui.QApplication.translate("pychemqt", "Cell")
]
self.datamap = Tabla(5,
filas=1,
dinamica=True,
horizontalHeader=header,
verticalHeader=False,
orientacion=QtCore.Qt.AlignLeft,
num=False,
delegateforRow=TableDelegate,
parent=self)
self.datamap.setEnabled(False)
self.datamap.cellChanged.connect(self.cellChanged)
self.datamap.rowFinished.connect(self.addRow)
layout.addWidget(self.datamap, 2, 1)
layout.addItem(
QtGui.QSpacerItem(10, 10, QtGui.QSizePolicy.Expanding,
QtGui.QSizePolicy.Expanding), 10, 1)
entitys = []
for stream in self.project.streams.keys():
entitys.append("s%i" % stream)
for equip in self.project.items.keys():
if equip[0] == "e":
entitys.append(equip)
self.datamap.itemDelegateForRow(0).setItemsByIndex(0, entitys)
self.entitys = entitys
if equipment:
self.setEquipment(equipment)
class UI_equipment(UI_equip):
"""Spreadsheet interaction equipment edition dialog"""
Equipment = Spreadsheet()
def __init__(self, equipment=None, project=None, parent=None):
"""
equipment: Initial equipment instance to model
"""
super(UI_equipment, self).__init__(Spreadsheet,
entrada=True,
salida=True,
calculo=False,
parent=parent)
self.project = project
# Calculate tab
layout = QtGui.QGridLayout(self.entrada)
label = QtGui.QApplication.translate("pychemqt",
"Spreadsheet path") + ":"
msg = QtGui.QApplication.translate("pychemqt", "Select Spreadsheet")
patrones = QtCore.QStringList()
if os.environ["ezodf"]:
patrones.append(
QtGui.QApplication.translate(
"pychemqt", "Libreoffice spreadsheet files") + " (*.ods)")
# if os.environ["xlwt"]:
# patrones.append(QtGui.QApplication.translate(
# "pychemqt", "Microsoft Excel 97/2000/XP/2003 XMLL")+ " (*.xls)")
if os.environ["openpyxl"]:
patrones.append(
QtGui.QApplication.translate(
"pychemqt", "Microsoft Excel 2007/2010 XML") + " (*.xlsx)")
patron = patrones.join(";;")
self.filename = PathConfig(label, msg=msg, patron=patron)
self.filename.valueChanged.connect(self.changeSpreadsheet)
layout.addWidget(self.filename, 1, 1)
header = [
QtGui.QApplication.translate("pychemqt", "Entity"),
QtGui.QApplication.translate("pychemqt", "Variable"),
QtGui.QApplication.translate("pychemqt", "Unit value"),
QtGui.QApplication.translate("pychemqt", "Sheet"),
QtGui.QApplication.translate("pychemqt", "Cell")
]
self.datamap = Tabla(5,
filas=1,
dinamica=True,
horizontalHeader=header,
verticalHeader=False,
orientacion=QtCore.Qt.AlignLeft,
num=False,
delegateforRow=TableDelegate,
parent=self)
self.datamap.setEnabled(False)
self.datamap.cellChanged.connect(self.cellChanged)
self.datamap.rowFinished.connect(self.addRow)
layout.addWidget(self.datamap, 2, 1)
layout.addItem(
QtGui.QSpacerItem(10, 10, QtGui.QSizePolicy.Expanding,
QtGui.QSizePolicy.Expanding), 10, 1)
entitys = []
for stream in self.project.streams.keys():
entitys.append("s%i" % stream)
for equip in self.project.items.keys():
if equip[0] == "e":
entitys.append(equip)
self.datamap.itemDelegateForRow(0).setItemsByIndex(0, entitys)
self.entitys = entitys
if equipment:
self.setEquipment(equipment)
def changeSpreadsheet(self, path):
self.datamap.setEnabled(bool(path))
self.changeParams("filename", str(path))
self.datamap.blockSignals(True)
self.datamap.clear()
self.datamap.blockSignals(False)
spreadsheet = ezodf.opendoc(path)
sheets = [name for name in spreadsheet.sheets.names()]
self.datamap.itemDelegateForRow(0).setItemsByIndex(3, sheets)
def rellenarInput(self):
self.blockSignals(True)
self.datamap.itemDelegateForRow(self.datamap.rowCount() -
1).setItemsByIndex(0, self.entitys)
if self.Equipment.status:
self.datamap.setEnabled(True)
self.filename.setText(self.Equipment.kwargs["filename"])
self.datamap.itemDelegateForRow(0).setItemsByIndex(
3, self.Equipment.sheets)
self.datamap.blockSignals(True)
self.datamap.clear()
if self.Equipment.kwargs["datamap"]:
for i, data in enumerate(self.Equipment.kwargs["datamap"]):
self.datamap.addRow()
self.datamap.itemDelegateForRow(i).setItemsByIndex(
0, self.entitys)
self.datamap.itemDelegateForRow(i).setItemsByIndex(
3, self.Equipment.sheets)
self.datamap.setItem(i, 0,
QtGui.QTableWidgetItem(data["entity"]))
self.datamap.setItem(i, 1,
QtGui.QTableWidgetItem(data["property"]))
self.datamap.setItem(i, 2,
QtGui.QTableWidgetItem(data["unit"]))
self.datamap.setItem(i, 3,
QtGui.QTableWidgetItem(data["sheet"]))
self.datamap.setItem(i, 4,
QtGui.QTableWidgetItem(data["cell"]))
self.datamap.itemDelegateForRow(self.datamap.rowCount() -
1).setItemsByIndex(
0, self.entitys)
self.datamap.itemDelegateForRow(self.datamap.rowCount() -
1).setItemsByIndex(
3, self.Equipment.sheets)
self.datamap.blockSignals(False)
self.blockSignals(False)
def rellenar(self):
self.rellenarInput()
self.status.setState(self.Equipment.status, self.Equipment.msg)
def cellChanged(self, i, j):
obj = self.project.getObject(str(self.datamap.item(i, 0).text()))
properties = [prop[0] for prop in obj.propertiesNames()]
if j == 0: # Entity cambiado, cambiar variables disponibles
self.datamap.itemDelegateForRow(i).setItemsByIndex(1, properties)
editor = QtGui.QComboBox()
editor.addItems(self.datamap.itemDelegateForRow(i).items[1])
self.datamap.setColumnWidth(1, editor.sizeHint().width())
elif j == 1: # Variable cambiada, cambiar unidades disponibles
value = self.datamap.item(i, 1).text()
ind = properties.index(value)
if obj.propertiesUnit()[ind] == str:
self.datamap.itemDelegateForRow(i).setItemsByIndex(2, [" "])
self.datamap.item(i, 2).setText(" ")
else:
self.datamap.itemDelegateForRow(i).setItemsByIndex(
2,
obj.propertiesNames()[ind][2].__text__)
elif j == 3:
self.datamap.item(i, 4).setText("")
def addRow(self, fila):
datamap = self.Equipment.kwargs["datamap"][:]
data = {}
data["entity"] = str(fila[0])
data["property"] = unicode(fila[1])
data["unit"] = unicode(fila[2])
data["sheet"] = unicode(fila[3])
data["cell"] = str(fila[4])
datamap.append(data)
self.changeParams("datamap", datamap)
def __init__(self, reaccion=None, parent=None):
super(UI_reacciones, self).__init__(parent)
self.evaluate = Evaluate()
self.evaluate.finished.connect(self.rellenar)
self.indices, self.nombres, M = getComponents()
gridLayout = QtWidgets.QGridLayout(self)
lyt = QtWidgets.QHBoxLayout()
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Key component")))
self.key = QtWidgets.QComboBox()
for i, nombre in enumerate(self.nombres):
self.key.addItem("%i - %s" % (i + 1, nombre))
self.key.currentIndexChanged.connect(partial(self.changeParams, "key"))
lyt.addWidget(self.key)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt, 1, 1, 1, 5)
lyt = QtWidgets.QHBoxLayout()
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Phase")))
self.fase = QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_PHASE:
self.fase.addItem(txt)
self.fase.currentIndexChanged.connect(
partial(self.changeParams, "fase"))
lyt.addWidget(self.fase)
self.Formula = QtWidgets.QLabel()
self.Formula.setAlignment(QtCore.Qt.AlignCenter)
self.Formula.setSizePolicy(QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed)
lyt.addWidget(self.Formula)
gridLayout.addLayout(lyt, 2, 1, 1, 5)
lyt = QtWidgets.QVBoxLayout()
title = self.nombres[:]
title.append("")
self.Estequiometria = Tabla(1,
verticalHeaderLabels=title,
horizontalHeader=[
QtWidgets.QApplication.translate(
"pychemqt", "Coefficients")
],
filas=len(self.indices))
self.Estequiometria.setFixedHeight(22 * len(self.indices) + 22 + 4 +
22)
lyt.addWidget(self.Estequiometria)
self.Estequiometria.addRow()
brush = QtGui.QBrush(QtGui.QColor("#eaeaea"))
self.Estequiometria.item(len(self.indices), 0).setBackground(brush)
self.Estequiometria.item(len(self.indices),
0).setFlags(QtCore.Qt.NoItemFlags)
self.Estequiometria.cellChanged.connect(self.reaccionCambiada)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt, 3, 1, 1, 2)
lyt = QtWidgets.QGridLayout()
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 1, 1)
self.formula = QtWidgets.QCheckBox(
QtWidgets.QApplication.translate("pychemqt",
"Use name in formula"))
self.formula.toggled.connect(partial(self.changeParams, "formula"))
lyt.addWidget(self.formula, 1, 2, 1, 2)
self.customHr = QtWidgets.QCheckBox(
"ΔHr " +
QtWidgets.QApplication.translate("pychemqt", "user specified"))
self.customHr.toggled.connect(self.changeHr)
lyt.addWidget(self.customHr, 2, 2, 1, 2)
lyt.addWidget(QtWidgets.QLabel("ΔHr<sup>o</sup>"), 3, 2)
self.Hr = Entrada_con_unidades(unidades.MolarEnthalpy, readOnly=True)
self.Hr.valueChanged.connect(partial(self.changeParams, "Hr"))
lyt.addWidget(self.Hr, 3, 3)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt, 3, 3, 1, 2)
gridLayout.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 4, 2)
lyt = QtWidgets.QHBoxLayout()
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Type")))
self.tipo = QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_TYPE:
self.tipo.addItem(txt)
self.tipo.currentIndexChanged.connect(
partial(self.changeParams, "tipo"))
lyt.addWidget(self.tipo)
lyt.addItem(
QtWidgets.QSpacerItem(20, 10, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed))
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Concentration")))
self.base = QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_BASE:
self.base.addItem(txt)
self.base.currentIndexChanged.connect(
partial(self.changeParams, "base"))
lyt.addWidget(self.base)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt, 5, 1, 1, 5)
self.stacked = QtWidgets.QStackedWidget()
self.tipo.currentIndexChanged.connect(self.stacked.setCurrentIndex)
gridLayout.addWidget(self.stacked, 6, 1, 1, 5)
gridLayout.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 7, 1, 1, 5)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
lyt.addWidget(
QtWidgets.QLabel("<h3>" + QtWidgets.QApplication.translate(
"pychemqt", "Estequiometric reaction") + "</h3>"), 1, 1, 1, 4)
self.Conversion = Tabla(1, verticalHeaderModel="C", filas=3)
self.Conversion.setConnected()
self.Conversion.setFixedWidth(100)
lyt.addWidget(self.Conversion, 2, 1, 3, 1)
label = QtWidgets.QLabel()
label.setPixmap(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/equation/reaction_conversion.png"))
lyt.addWidget(label, 2, 2, 1, 3)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Temperature unit")), 3, 2)
self.unidadesTemperatura = QtWidgets.QComboBox()
for i in unidades.Temperature.__text__:
self.unidadesTemperatura.addItem(i)
lyt.addWidget(self.unidadesTemperatura, 3, 3)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 4, 4)
lyt.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 5, 1, 1, 5)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
self.check_KFijo = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate("pychemqt", "Fixed"))
self.check_KFijo.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KFijo, 1, 1, 1, 2)
lyt.addWidget(QtWidgets.QLabel("K<sub>eq</sub>"), 1, 3)
self.Keq = Entrada_con_unidades(float)
lyt.addWidget(self.Keq, 1, 4)
label = QtWidgets.QLabel()
label.setPixmap(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/equation/reaction_equilibrium.png"))
lyt.addWidget(label, 1, 5, 1, 4)
self.check_KEq = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate("pychemqt", "Equation"))
self.check_KEq.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KEq, 2, 1, 1, 2)
self.check_KTabla = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate("pychemqt", "Table"))
self.check_KTabla.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KTabla, 2, 5, 1, 2)
self.KEq_Dat = Tabla(
1,
verticalHeaderLabels=["A", "B", "C", "D", "E", "F", "G", "H"],
filas=8)
self.KEq_Dat.setFixedHeight(22 * 8 + 4)
self.KEq_Dat.setFixedWidth(120)
lyt.addWidget(self.KEq_Dat, 3, 3, 1, 2)
self.KEq_Tab = Tabla(
4,
horizontalHeader=["T, K", "Keq", "Kcalc", "%Error"],
verticalHeader=False,
columnReadOnly=[False, False, True, True])
self.KEq_Tab.setSizePolicy(QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding)
self.KEq_Tab.setFixedWidth(400)
self.KEq_Tab.setConnected()
self.KEq_Tab.rowFinished.connect(self.Regresion)
self.KEq_Tab.setAlternatingRowColors(False)
lyt.addWidget(self.KEq_Tab, 3, 5, 1, 4)
lyt.addWidget(QtWidgets.QLabel("r²"), 4, 5)
self.r2 = Entrada_con_unidades(float, readOnly=True)
lyt.addWidget(self.r2, 4, 6)
self.botonTablaPlot = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/plot.png")),
QtWidgets.QApplication.translate("pychemqt", "Plot"))
self.botonTablaPlot.clicked.connect(self.Plot)
lyt.addWidget(self.botonTablaPlot, 4, 7)
self.botonTablaClear = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/clear.png")),
QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonTablaClear.clicked.connect(self.KEq_Tab.clear)
lyt.addWidget(self.botonTablaClear, 4, 8)
label = QtWidgets.QLabel()
label.setPixmap(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/equation/reaction_equilibrium2.png"))
label.setAlignment(QtCore.Qt.AlignCenter)
lyt.addWidget(label, 5, 1, 1, 8)
self.checkGibbs = QtWidgets.QRadioButton(
QtWidgets.QApplication.translate(
"pychemqt", "From Gibbs free energy minimization"))
lyt.addWidget(self.checkGibbs, 6, 1, 1, 4)
self.check_KFijo.setChecked(True)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
widget = QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt = QtWidgets.QGridLayout(widget)
self.status = Status()
gridLayout.addWidget(self.status, 10, 1)
self.buttonBox = QtWidgets.QDialogButtonBox(
QtWidgets.QDialogButtonBox.Cancel | QtWidgets.QDialogButtonBox.Ok)
self.buttonBox.accepted.connect(self.accept)
self.buttonBox.rejected.connect(self.reject)
gridLayout.addWidget(self.buttonBox, 10, 2, 1, 4)
if reaccion:
self.setReaction(reaccion)
class UI_equipment(UI_equip):
"""Divider equipment edition dialog"""
Equipment = Divider()
def __init__(self, equipment=None, salidas=0, parent=None):
"""
equipment: Initial equipment instance to model
salidas: Stream Output number to equipment
"""
super().__init__(Divider, entrada=False, parent=parent)
# Calculate tab
lyt_Calc = QtWidgets.QGridLayout(self.tabCalculo)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Separation")), 1, 1, 1, 1)
self.criterio = QtWidgets.QComboBox()
for txt in self.Equipment.TEXT_CRITERIO:
self.criterio.addItem(txt)
self.criterio.currentIndexChanged.connect(self.criterio_Changed)
lyt_Calc.addWidget(self.criterio, 1, 2, 1, 1)
self.fracciones = Tabla(1, horizontalHeader=[True], stretch=False)
self.fracciones.setItemDelegateForColumn(0, CellEditor(self))
lyt_Calc.addWidget(self.fracciones, 2, 1, 1, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Pressure lost")), 3, 1, 1, 1)
self.deltaP = Entrada_con_unidades(Pressure, value=0)
self.deltaP.valueChanged.connect(partial(self.changeParams, "deltaP"))
lyt_Calc.addWidget(self.deltaP, 3, 2, 1, 1)
if equipment and salidas:
equipment(salidas=salidas)
elif equipment:
salidas = equipment.kwargs["salidas"]
else:
self.Equipment = Divider(salidas=salidas)
self.fracciones.setRowCount(salidas)
for i in range(salidas):
itm = QtWidgets.QTableWidgetItem("%i" % i)
itm.setTextAlignment(QtCore.Qt.AlignRight | QtCore.Qt.AlignVCenter)
self.fracciones.setItem(0, i, itm)
self.fracciones.setRowHeight(i, 20)
widget = UI_corriente.Ui_corriente(readOnly=True)
self.Salida.addTab(widget, str(i+1))
self.criterio_Changed(0)
self.fracciones.editingFinished.connect(
partial(self.changeParams, "split"))
self.setEquipment(equipment)
def criterio_Changed(self, int):
if int:
item = QtWidgets.QTableWidgetItem(QtWidgets.QApplication.translate(
"pychemqt", "Flow")+", "+MassFlow.text())
self.fracciones.setHorizontalHeaderItem(0, item)
self.fracciones.item(self.fracciones.rowCount()-1, 0).setFlags(
QtCore.Qt.ItemIsEditable | QtCore.Qt.ItemIsEnabled |
QtCore.Qt.ItemIsSelectable)
else:
item = QtWidgets.QTableWidgetItem(QtWidgets.QApplication.translate(
"pychemqt", "Flow")+", "+MassFlow.text())
self.fracciones.setHorizontalHeaderItem(0, item)
self.fracciones.item(self.fracciones.rowCount()-1, 0).setFlags(
QtCore.Qt.NoItemFlags)
self.changeParams("criterio", int)
def changeParams(self, parametro, valor=None):
if parametro == "split":
valor = self.fracciones.getColumn(0, False)
if self.criterio.currentIndex() == 0:
if len(valor)+1 < self.fracciones.rowCount():
return
elif len(valor)+1 == self.fracciones.rowCount():
valor.append(1-sum(valor))
elif len(valor) == self.fracciones.rowCount():
valor[-1] = 1-sum(valor[:-1])
self.calculo(**{parametro: valor})
def rellenar(self):
UI_equip.rellenar(self)
if self.Equipment.status == 1 and self.criterio.currentIndex() == 1:
self.entrada.setCorriente(self.Equipment.entrada)
def rellenarInput(self):
UI_equip.rellenarInput(self)
self.fracciones.setColumn(0, self.Equipment.kwargs["split"])
class widgetReacciones(QtWidgets.QWidget):
"""Widget con la tabla de reacciones y los botones para modificar la lista de reacciones"""
changed = QtCore.pyqtSignal()
reacciones = []
reaccion = None
activo = None
ajuste = None
def __init__(self, parent=None):
super(widgetReacciones, self).__init__(parent)
self.indices, self.nombres, M = getComponents()
gridLayout = QtWidgets.QGridLayout(self)
self.TablaReacciones = Tabla(
5,
horizontalHeader=[
QtWidgets.QApplication.translate("pychemqt", "Reaction"),
"ΔHr, %s" % unidades.MolarEnthalpy(None).text(),
QtWidgets.QApplication.translate("pychemqt", "Type"),
QtWidgets.QApplication.translate("pychemqt", "Phase"),
QtWidgets.QApplication.translate("pychemqt", "Description")
],
dinamica=False,
verticalHeader=True,
orientacion=QtCore.Qt.AlignLeft)
self.TablaReacciones.setMinimumWidth(500)
self.TablaReacciones.setSelectionBehavior(
QtWidgets.QAbstractItemView.SelectRows)
self.TablaReacciones.setSelectionMode(
QtWidgets.QAbstractItemView.SingleSelection)
self.TablaReacciones.horizontalHeader().setStretchLastSection(True)
self.TablaReacciones.setEditTriggers(
QtWidgets.QAbstractItemView.NoEditTriggers)
self.TablaReacciones.itemSelectionChanged.connect(
self.actualizarBotones)
gridLayout.addWidget(self.TablaReacciones, 1, 1, 6, 4)
self.botonAbrir = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileOpen.png")),
QtWidgets.QApplication.translate("pychemqt", "Open"))
self.botonAbrir.clicked.connect(self.botonAbrirClicked)
gridLayout.addWidget(self.botonAbrir, 1, 5)
self.botonGuardar = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileSave.png")),
QtWidgets.QApplication.translate("pychemqt", "Save"))
self.botonGuardar.clicked.connect(self.botonGuardarClicked)
self.botonGuardar.setSizePolicy(QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed)
self.botonGuardar.setEnabled(False)
gridLayout.addWidget(self.botonGuardar, 2, 5)
self.botonNew = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileNew.png")),
QtWidgets.QApplication.translate("pychemqt", "New"))
self.botonNew.clicked.connect(self.botonNewClicked)
gridLayout.addWidget(self.botonNew, 3, 5)
self.botonEdit = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/editor.png")),
QtWidgets.QApplication.translate("pychemqt", "Edit"))
self.botonEdit.setEnabled(False)
self.botonEdit.setCheckable(True)
self.botonEdit.clicked.connect(self.botonEditClicked)
gridLayout.addWidget(self.botonEdit, 4, 5)
self.botonDelete = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/editDelete.png")),
QtWidgets.QApplication.translate("pychemqt", "Delete"))
self.botonDelete.setEnabled(False)
self.botonDelete.clicked.connect(self.botonDeleteClicked)
gridLayout.addWidget(self.botonDelete, 5, 5)
self.botonClear = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/clear.png")),
QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonClear.clicked.connect(self.botonClearClicked)
gridLayout.addWidget(self.botonClear, 6, 5)
gridLayout.addItem(
QtWidgets.QSpacerItem(10, 10, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 10, 1)
def actualizarBotones(self, bool=True):
self.botonEdit.setEnabled(bool)
self.botonDelete.setEnabled(bool)
def botonAbrirClicked(self):
fname = str(
QtWidgets.QFileDialog.getOpenFileName(
self,
QtWidgets.QApplication.translate("pychemqt",
"Open reaction file"), "./",
QtWidgets.QApplication.translate("pychemqt", "reaction file") +
" (*.rec);;" +
QtWidgets.QApplication.translate("pychemqt", "All files") +
" (*.*)")[0])
if fname:
with open(fname, "r") as archivo:
reacciones = pickle.load(archivo)
print(reacciones)
self.reacciones = reacciones
self.botonGuardar.setEnabled(True)
for fila, reaccion in enumerate(reacciones):
self.TablaReacciones.addRow()
self.TablaReacciones.setValue(fila, 0, reaccion.text)
self.TablaReacciones.setValue(fila, 1,
"%0.4e" % reaccion.Hr.config(),
QtCore.Qt.AlignRight)
self.TablaReacciones.setValue(
fila, 2,
str(reaccion.tipo + 1) + " - " +
reaction.Reaction.TEXT_TYPE[reaccion.tipo])
self.TablaReacciones.setValue(
fila, 3, reaction.Reaction.TEXT_PHASE[reaccion.fase])
self.TablaReacciones.item(
fila, 4).setFlags(QtCore.Qt.ItemIsEditable
| QtCore.Qt.ItemIsEnabled
| QtCore.Qt.ItemIsSelectable)
for i in range(4):
self.TablaReacciones.resizeColumnToContents(i)
self.changed.emit()
def botonGuardarClicked(self):
fname = str(
QtWidgets.QFileDialog.getSaveFileName(
self,
QtWidgets.QApplication.translate("pychemqt",
"Save reaction to file"),
"./",
QtWidgets.QApplication.translate("pychemqt", "reaction file") +
" (*.rec)")[0])
if fname:
if fname.split(".")[-1] != "rec":
fname += ".rec"
pickle.dump(self.reacciones, open(fname, "w"))
def botonNewClicked(self):
dialog = UI_reacciones(parent=self)
if dialog.exec_():
pass
def botonEditClicked(self, bool):
if bool:
indice = self.TablaReacciones.currentRow()
reaccion = self.reacciones[indice]
dialogo = UI_reacciones(reaccion, self)
dialogo.exec_()
# self.rellenar(self.reaccion)
# self.activo=indice
else:
self.botonAddClicked(self.activo, False)
self.reacciones[self.activo] = self.reaccion
self.TablaReacciones.setCurrentCell(self.activo, 0)
self.activo = -1
self.changed.emit()
self.botonNew.setEnabled(not bool)
self.botonDelete.setEnabled(not bool)
self.botonClear.setEnabled(not bool)
self.botonAdd.setEnabled(not bool)
self.botonAbrir.setEnabled(not bool)
self.botonGuardar.setEnabled(not bool)
def botonDeleteClicked(self):
indice = self.TablaReacciones.currentRow()
self.TablaReacciones.removeRow(indice)
del self.reacciones[indice]
self.TablaReacciones.clearSelection()
self.actualizarBotones(False)
self.changed.emit()
def botonClearClicked(self):
if self.reacciones:
self.reacciones = []
self.TablaReacciones.setRowCount(0)
self.botonGuardar.setEnabled(False)
def botonAddClicked(self, fila, add=True):
if add:
fila = self.TablaReacciones.rowCount()
self.TablaReacciones.addRow()
self.TablaReacciones.setValue(fila, 0, self.Formula.text())
self.TablaReacciones.setValue(fila, 1,
"%0.4e" % self.Hr.value.config(),
QtCore.Qt.AlignRight)
self.TablaReacciones.setValue(
fila, 2,
str(self.tipo.currentIndex() + 1) + " - " +
self.tipo.currentText())
self.TablaReacciones.setValue(fila, 3, self.Fase.currentText())
self.TablaReacciones.item(fila,
4).setFlags(QtCore.Qt.ItemIsEditable
| QtCore.Qt.ItemIsEnabled
| QtCore.Qt.ItemIsSelectable)
for i in range(4):
self.TablaReacciones.resizeColumnToContents(i)
self.reacciones.insert(fila, self.reaccion)
self.botonGuardar.setEnabled(True)
self.changed.emit()
def __init__(self, equipment=None, parent=None):
"""
equipment: Initial equipment instance to model
"""
super().__init__(Baghouse, entrada=False, parent=parent)
# Efficiency tab
title = [
QtWidgets.QApplication.translate("pychemqt", "Diameter") + ", " +
Length.text("ParticleDiameter"),
QtWidgets.QApplication.translate("pychemqt", "Efficiency")
]
self.efic = Tabla(2, horizontalHeader=title, filas=1, stretch=False)
self.efic.setColumnReadOnly(0, True)
self.efic.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.efic.editingFinished.connect(self.cambiarRendimientos)
self.tabWidget.insertTab(
1, self.efic,
QtWidgets.QApplication.translate("pychemqt", "Efficiencies"))
# Calculate tab
lyt_Calc = QtWidgets.QGridLayout(self.tabCalculo)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Mode")), 1, 1)
self.metodo = QtWidgets.QComboBox()
for txt in self.Equipment.TEXT_TIPO:
self.metodo.addItem(txt)
self.metodo.currentIndexChanged.connect(self.tipoCalculoCambiado)
lyt_Calc.addWidget(self.metodo, 1, 2, 1, 3)
lyt_Calc.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 2, 1, 1, 6)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "No cells")), 3,
1)
self.num_filtros = Entrada_con_unidades(int,
spinbox=True,
step=1,
min=1,
width=50,
resaltado=True,
start=1)
self.num_filtros.valueChanged.connect(
partial(self.changeParams, "num_filtros"))
lyt_Calc.addWidget(self.num_filtros, 3, 2)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Time")), 4, 1)
self.tiempo = Entrada_con_unidades(Time, resaltado=True)
self.tiempo.valueChanged.connect(partial(self.changeParams, "tiempo"))
lyt_Calc.addWidget(self.tiempo, 4, 2)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Pressure drop")),
5, 1)
self.deltaP = Entrada_con_unidades(Pressure, retornar=False)
self.deltaP.setReadOnly(True)
self.deltaP.valueChanged.connect(partial(self.changeParams, "deltaP"))
lyt_Calc.addWidget(self.deltaP, 5, 2)
lyt_Calc.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Fixed,
QtWidgets.QSizePolicy.Fixed), 6, 1, 1, 6)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Bags per cell")),
7, 1)
self.membranasFiltro = Entrada_con_unidades(int,
spinbox=True,
step=1,
min=1)
self.membranasFiltro.valueChanged.connect(
partial(self.changeParams, "membranasFiltro"))
lyt_Calc.addWidget(self.membranasFiltro, 7, 2)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Bag diameter")),
8, 1)
self.diametroMembrana = Entrada_con_unidades(Length)
self.diametroMembrana.valueChanged.connect(
partial(self.changeParams, "diametroMembrana"))
lyt_Calc.addWidget(self.diametroMembrana, 8, 2)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Area per bag")),
9, 1)
self.areaMembrana = Entrada_con_unidades(Area)
self.areaMembrana.valueChanged.connect(
partial(self.changeParams, "areaMembrana"))
lyt_Calc.addWidget(self.areaMembrana, 9, 2)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Cloth resistence")), 7, 4)
self.resistenciaFiltro = Entrada_con_unidades(float)
self.resistenciaFiltro.valueChanged.connect(
partial(self.changeParams, "resistenciaFiltro"))
lyt_Calc.addWidget(self.resistenciaFiltro, 7, 5)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt",
"Cake resistence")), 8, 4)
self.resistenciaTorta = Entrada_con_unidades(float)
self.resistenciaTorta.valueChanged.connect(
partial(self.changeParams, "resistenciaTorta"))
lyt_Calc.addWidget(self.resistenciaTorta, 8, 5)
lyt_Calc.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Cells cleaned")),
9, 4)
self.limpieza = Entrada_con_unidades(int, spinbox=True, step=1, min=0)
self.limpieza.valueChanged.connect(
partial(self.changeParams, "limpieza"))
lyt_Calc.addWidget(self.limpieza, 9, 5)
lyt_Calc.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 10, 1, 1,
6)
groupbox = QtWidgets.QGroupBox(
QtWidgets.QApplication.translate("pychemqt", "Results"))
lyt_Calc.addWidget(groupbox, 11, 1, 1, 5)
lyt = QtWidgets.QGridLayout(groupbox)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "No cells")), 1,
1)
self.num_filtrosCalc = Entrada_con_unidades(int, readOnly=True)
lyt.addWidget(self.num_filtrosCalc, 1, 2)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Time")), 2, 1)
self.tiempoCalc = Entrada_con_unidades(Time, readOnly=True)
lyt.addWidget(self.tiempoCalc, 2, 2)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Pressure drop")),
3, 1)
self.deltaPCalc = Entrada_con_unidades(Pressure, readOnly=True)
lyt.addWidget(self.deltaPCalc, 3, 2)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Gas velocity")),
1, 4)
self.Vgas = Entrada_con_unidades(Speed, retornar=False, readOnly=True)
lyt.addWidget(self.Vgas, 1, 5)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Efficiency")), 2,
4)
self.rendimiento = Entrada_con_unidades(float, readOnly=True)
lyt.addWidget(self.rendimiento, 2, 5)
lyt.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Area")), 3, 4)
self.floorArea = Entrada_con_unidades(Area, readOnly=True)
lyt.addWidget(self.floorArea, 3, 5)
lyt_Calc.addItem(
QtWidgets.QSpacerItem(20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 12, 1, 1,
6)
# Output tab
self.addSalida(
QtWidgets.QApplication.translate("pychemqt", "Filtered gas"))
self.addSalida(
QtWidgets.QApplication.translate("pychemqt", "Collected solids"))
if equipment:
self.setEquipment(equipment)
def __init__(self, reaccion=None, parent=None):
super(UI_reacciones, self).__init__(parent)
self.evaluate=Evaluate()
self.evaluate.finished.connect(self.rellenar)
self.indices, self.nombres, M=getComponents()
gridLayout = QtWidgets.QGridLayout(self)
lyt=QtWidgets.QHBoxLayout()
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Key component")))
self.key=QtWidgets.QComboBox()
for i, nombre in enumerate(self.nombres):
self.key.addItem("%i - %s" %(i+1, nombre))
self.key.currentIndexChanged.connect(partial(self.changeParams, "key"))
lyt.addWidget(self.key)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt,1,1,1,5)
lyt=QtWidgets.QHBoxLayout()
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Phase")))
self.fase=QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_PHASE:
self.fase.addItem(txt)
self.fase.currentIndexChanged.connect(partial(self.changeParams, "fase"))
lyt.addWidget(self.fase)
self.Formula=QtWidgets.QLabel()
self.Formula.setAlignment(QtCore.Qt.AlignCenter)
self.Formula.setSizePolicy(QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Fixed)
lyt.addWidget(self.Formula)
gridLayout.addLayout(lyt,2,1,1,5)
lyt=QtWidgets.QVBoxLayout()
title=self.nombres[:]
title.append("")
self.Estequiometria=Tabla(1, verticalHeaderLabels=title, horizontalHeader=[QtWidgets.QApplication.translate("pychemqt", "Coefficients")], filas=len(self.indices))
self.Estequiometria.setFixedHeight(22*len(self.indices)+22+4+22)
lyt.addWidget(self.Estequiometria)
self.Estequiometria.addRow()
brush=QtGui.QBrush(QtGui.QColor("#eaeaea"))
self.Estequiometria.item(len(self.indices), 0).setBackground(brush)
self.Estequiometria.item(len(self.indices), 0).setFlags(QtCore.Qt.NoItemFlags)
self.Estequiometria.cellChanged.connect(self.reaccionCambiada)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt,3,1,1,2)
lyt=QtWidgets.QGridLayout()
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed),1,1)
self.formula=QtWidgets.QCheckBox(QtWidgets.QApplication.translate("pychemqt", "Use name in formula"))
self.formula.toggled.connect(partial(self.changeParams, "formula"))
lyt.addWidget(self.formula,1,2,1,2)
self.customHr=QtWidgets.QCheckBox("ΔHr "+QtWidgets.QApplication.translate("pychemqt", "user specified"))
self.customHr.toggled.connect(self.changeHr)
lyt.addWidget(self.customHr,2,2,1,2)
lyt.addWidget(QtWidgets.QLabel("ΔHr<sup>o</sup>"),3,2)
self.Hr=Entrada_con_unidades(unidades.MolarEnthalpy, readOnly=True)
self.Hr.valueChanged.connect(partial(self.changeParams, "Hr"))
lyt.addWidget(self.Hr,3,3)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Expanding))
gridLayout.addLayout(lyt,3,3,1,2)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed),4,2)
lyt=QtWidgets.QHBoxLayout()
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Type")))
self.tipo=QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_TYPE:
self.tipo.addItem(txt)
self.tipo.currentIndexChanged.connect(partial(self.changeParams, "tipo"))
lyt.addWidget(self.tipo)
lyt.addItem(QtWidgets.QSpacerItem(20,10,QtWidgets.QSizePolicy.Fixed,QtWidgets.QSizePolicy.Fixed))
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Concentration")))
self.base=QtWidgets.QComboBox()
for txt in reaction.Reaction.TEXT_BASE:
self.base.addItem(txt)
self.base.currentIndexChanged.connect(partial(self.changeParams, "base"))
lyt.addWidget(self.base)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Fixed))
gridLayout.addLayout(lyt,5,1,1,5)
self.stacked = QtWidgets.QStackedWidget()
self.tipo.currentIndexChanged.connect(self.stacked.setCurrentIndex)
gridLayout.addWidget(self.stacked,6,1,1,5)
gridLayout.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),7,1,1,5)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
lyt.addWidget(QtWidgets.QLabel("<h3>"+QtWidgets.QApplication.translate("pychemqt", "Estequiometric reaction")+"</h3>"),1,1,1,4)
self.Conversion=Tabla(1, verticalHeaderModel="C", filas=3)
self.Conversion.setConnected()
self.Conversion.setFixedWidth(100)
lyt.addWidget(self.Conversion,2,1,3,1)
label=QtWidgets.QLabel()
label.setPixmap(QtGui.QPixmap(os.environ["pychemqt"]+"/images/equation/reaction_conversion.png"))
lyt.addWidget(label,2,2,1,3)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate("pychemqt", "Temperature unit")),3,2)
self.unidadesTemperatura=QtWidgets.QComboBox()
for i in unidades.Temperature.__text__:
self.unidadesTemperatura.addItem(i)
lyt.addWidget(self.unidadesTemperatura,3,3)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),4,4)
lyt.addItem(QtWidgets.QSpacerItem(10,10,QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding),5,1,1,5)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
self.check_KFijo=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "Fixed"))
self.check_KFijo.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KFijo,1,1,1,2)
lyt.addWidget(QtWidgets.QLabel("K<sub>eq</sub>"),1,3)
self.Keq=Entrada_con_unidades(float)
lyt.addWidget(self.Keq,1,4)
label=QtWidgets.QLabel()
label.setPixmap(QtGui.QPixmap(os.environ["pychemqt"]+"/images/equation/reaction_equilibrium.png"))
lyt.addWidget(label,1,5,1,4)
self.check_KEq=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "Equation"))
self.check_KEq.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KEq,2,1,1,2)
self.check_KTabla=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "Table"))
self.check_KTabla.toggled.connect(self.KeqChanged)
lyt.addWidget(self.check_KTabla,2,5,1,2)
self.KEq_Dat=Tabla(1, verticalHeaderLabels=["A", "B", "C", "D", "E", "F", "G", "H"], filas=8)
self.KEq_Dat.setFixedHeight(22*8+4)
self.KEq_Dat.setFixedWidth(120)
lyt.addWidget(self.KEq_Dat,3,3,1,2)
self.KEq_Tab=Tabla(4, horizontalHeader=["T, K", "Keq", "Kcalc", "%Error"], verticalHeader=False, columnReadOnly=[False, False, True, True])
self.KEq_Tab.setSizePolicy(QtWidgets.QSizePolicy.Expanding,QtWidgets.QSizePolicy.Expanding)
self.KEq_Tab.setFixedWidth(400)
self.KEq_Tab.setConnected()
self.KEq_Tab.rowFinished.connect(self.Regresion)
self.KEq_Tab.setAlternatingRowColors(False)
lyt.addWidget(self.KEq_Tab,3,5,1,4)
lyt.addWidget(QtWidgets.QLabel("r²"),4,5)
self.r2=Entrada_con_unidades(float, readOnly=True)
lyt.addWidget(self.r2,4,6)
self.botonTablaPlot=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/plot.png")), QtWidgets.QApplication.translate("pychemqt", "Plot"))
self.botonTablaPlot.clicked.connect(self.Plot)
lyt.addWidget(self.botonTablaPlot,4,7)
self.botonTablaClear=QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(os.environ["pychemqt"]+"/images/button/clear.png")), QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonTablaClear.clicked.connect(self.KEq_Tab.clear)
lyt.addWidget(self.botonTablaClear,4,8)
label=QtWidgets.QLabel()
label.setPixmap(QtGui.QPixmap(os.environ["pychemqt"]+"/images/equation/reaction_equilibrium2.png"))
label.setAlignment(QtCore.Qt.AlignCenter)
lyt.addWidget(label,5,1,1,8)
self.checkGibbs=QtWidgets.QRadioButton(QtWidgets.QApplication.translate("pychemqt", "From Gibbs free energy minimization"))
lyt.addWidget(self.checkGibbs,6,1,1,4)
self.check_KFijo.setChecked(True)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
widget=QtWidgets.QWidget()
self.stacked.addWidget(widget)
lyt=QtWidgets.QGridLayout(widget)
self.status=Status()
gridLayout.addWidget(self.status, 10,1)
self.buttonBox = QtWidgets.QDialogButtonBox(QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
self.buttonBox.accepted.connect(self.accept)
self.buttonBox.rejected.connect(self.reject)
gridLayout.addWidget(self.buttonBox,10,2,1,4)
if reaccion:
self.setReaction(reaccion)
def __init__(self,
data=None,
t=[],
property=[],
horizontalHeader=[],
title="",
help=False,
helpFile="",
DIPPR=False,
tc=0,
tcValue=None,
eq=1,
parent=None):
"""
title: window title
data: mrray with original data
t: values for x column, generally temperature
property: values for 2...n columns
horizontalHeader: List with column title
help: boolean to show help button
helpFile: Path for help file, file or url
DIPPR: boolean to show DIPPR widget
tc: boolean to show critical temperature (same DIPPR eq need it)
tcValue: value for critical temperature
eq: Value for DIPPR equation
"""
super(Entrada_Datos, self).__init__(parent)
self.setWindowTitle(title)
self.columnas = len(horizontalHeader)
self.horizontalHeader = horizontalHeader
self.title = title
self.helpFile = helpFile
gridLayout = QtWidgets.QGridLayout(self)
self.botonAbrir = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileOpen.png")),
QtWidgets.QApplication.translate("pychemqt", "Open"))
self.botonAbrir.clicked.connect(self.Abrir)
gridLayout.addWidget(self.botonAbrir, 1, 1)
self.botonGuardar = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileSave.png")),
QtWidgets.QApplication.translate("pychemqt", "Save"))
self.botonGuardar.clicked.connect(self.Guardar)
gridLayout.addWidget(self.botonGuardar, 1, 2)
self.botonDelete = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/clear.png")),
QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonDelete.clicked.connect(self.Borrar)
gridLayout.addWidget(self.botonDelete, 1, 3)
gridLayout.addItem(
QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 1, 4)
self.tabla = Tabla(self.columnas,
horizontalHeader=horizontalHeader,
verticalHeader=False,
stretch=False)
self.tabla.setConnected()
if data:
self.tabla.setData(data)
self.tabla.addRow()
elif t and property:
self.tabla.setColumn(0, t)
self.tabla.setColumn(1, property)
gridLayout.addWidget(self.tabla, 2, 1, 1, 4)
if DIPPR:
self.eqDIPPR = eqDIPPR(eq)
gridLayout.addWidget(self.eqDIPPR, 3, 1, 1, 4)
self.eqDIPPR.eqDIPPR.valueChanged.connect(self.showTc)
if tc:
lyt = QtWidgets.QHBoxLayout()
self.labelTc = QtWidgets.QLabel("Tc: ", self)
lyt.addWidget(self.labelTc)
self.tc = Entrada_con_unidades(Temperature, value=tcValue)
lyt.addWidget(self.tc)
lyt.addItem(
QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding))
gridLayout.addItem(lyt, 4, 1, 1, 4)
self.showTc(1)
if help:
botones = QtWidgets.QDialogButtonBox.Help | \
QtWidgets.QDialogButtonBox.Cancel | \
QtWidgets.QDialogButtonBox.Ok
else:
botones = QtWidgets.QDialogButtonBox.Cancel | \
QtWidgets.QDialogButtonBox.Ok
self.boton = QtWidgets.QDialogButtonBox(botones)
self.boton.accepted.connect(self.accept)
self.boton.rejected.connect(self.reject)
self.boton.helpRequested.connect(self.ayuda)
gridLayout.addWidget(self.boton, 5, 1, 1, 4)
def __init__(self, columnas, data=None, t=[], property=[],
horizontalHeader=[], title="", DIPPR=False, hasTc=0,
Tc=None, eq=1, unit=[], parent=None):
"""
data: mrray with original data
t: values for x column, generally temperature
property: values for 2...n columns
horizontalHeader: List with column title
DIPPR: boolean to show DIPPR widget
hasTc: boolean to show critical temperature (some DIPPR eq need it)
Tc: value for critical temperature
eq: Value for DIPPR equation
unit: List of unidades classes for column definition
"""
super(InputTableWidget, self).__init__(parent)
self.columnas = columnas
self.title = title
self.unit = unit
gridLayout = QtWidgets.QGridLayout(self)
gridLayout.setContentsMargins(0, 0, 0, 0)
openButton = QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(
os.environ["pychemqt"]+"/images/button/fileOpen.png")), "")
openButton.setToolTip(QtWidgets.QApplication.translate(
"pychemqt", "Load data from a file"))
openButton.clicked.connect(self.open)
gridLayout.addWidget(openButton, 1, 1)
saveButton = QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(
os.environ["pychemqt"]+"/images/button/fileSave.png")), "")
saveButton.setToolTip(QtWidgets.QApplication.translate(
"pychemqt", "Save data to a file"))
saveButton.clicked.connect(self.save)
gridLayout.addWidget(saveButton, 1, 2)
clearButton = QtWidgets.QPushButton(QtGui.QIcon(QtGui.QPixmap(
os.environ["pychemqt"]+"/images/button/clear.png")), "")
clearButton.setToolTip(QtWidgets.QApplication.translate(
"pychemqt", "Clear data"))
clearButton.clicked.connect(self.delete)
gridLayout.addWidget(clearButton, 1, 3)
gridLayout.addItem(QtWidgets.QSpacerItem(
0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Fixed), 1, 4)
self.tabla = Tabla(self.columnas, horizontalHeader=horizontalHeader,
verticalHeader=False, stretch=False)
self.tabla.setConnected()
if unit:
hHeader = []
for unit, title in zip(self.unit, horizontalHeader):
hHeader.append("%s, %s" % (title, unit.text()))
self.tabla.setHorizontalHeaderLabels(hHeader)
self.tabla.horizontalHeader().sectionClicked.connect(self.editUnit)
if data:
self.tabla.setData(data)
self.tabla.addRow()
elif t and property:
self.tabla.setColumn(0, t)
self.tabla.setColumn(1, property)
gridLayout.addWidget(self.tabla, 2, 1, 1, 4)
if DIPPR:
self.eqDIPPR = eqDIPPR(eq)
gridLayout.addWidget(self.eqDIPPR, 3, 1, 1, 4)
self.eqDIPPR.eqDIPPR.valueChanged.connect(self.showTc)
self.labelTc = QtWidgets.QLabel("Tc: ", self)
gridLayout.addWidget(self.labelTc, 4, 1)
self.tc = Entrada_con_unidades(Temperature, value=Tc)
gridLayout.addWidget(self.tc, 4, 2, 1, 3)
self.showTc(1)
def __init__(self, parent=None):
super(Definicion_Petro, self).__init__(parent)
self.setWindowTitle(QtGui.QApplication.translate(
"pychemqt", "Petrol component definition"))
layout = QtGui.QGridLayout(self)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Name")), 1, 1)
self.nombre = QtGui.QLineEdit()
self.nombre.textChanged.connect(partial(self.changeParams, "name"))
layout.addWidget(self.nombre, 1, 2, 1, 4)
layout.addItem(QtGui.QSpacerItem(10, 10, QtGui.QSizePolicy.Fixed,
QtGui.QSizePolicy.Fixed), 2, 1, 1, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Boiling point")), 3, 1)
self.Tb = Entrada_con_unidades(Temperature)
self.Tb.valueChanged.connect(partial(self.changeParams, "Tb"))
layout.addWidget(self.Tb, 3, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Molecular Weight")), 4, 1)
self.M = Entrada_con_unidades(float, textounidad="g/mol")
self.M.valueChanged.connect(partial(self.changeParams, "M"))
layout.addWidget(self.M, 4, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Specific Gravity")), 5, 1)
self.SG = Entrada_con_unidades(float)
self.SG.valueChanged.connect(partial(self.changeParams, "SG"))
layout.addWidget(self.SG, 5, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "API gravity")), 6, 1)
self.API = Entrada_con_unidades(float)
self.API.valueChanged.connect(partial(self.changeParams, "API"))
layout.addWidget(self.API, 6, 2)
layout.addWidget(QtGui.QLabel("K watson:"), 7, 1)
self.Kw = Entrada_con_unidades(float)
self.Kw.valueChanged.connect(partial(self.changeParams, "Kw"))
layout.addWidget(self.Kw, 7, 2)
layout.addWidget(QtGui.QLabel("C/H:"), 8, 1)
self.CH = Entrada_con_unidades(float)
self.CH.valueChanged.connect(partial(self.changeParams, "CH"))
layout.addWidget(self.CH, 8, 2)
layout.addWidget(QtGui.QLabel(u"ν<sub>100F</sub>:"), 9, 1)
self.v100 = Entrada_con_unidades(Diffusivity)
self.v100.valueChanged.connect(partial(self.changeParams, "v100"))
layout.addWidget(self.v100, 9, 2)
layout.addWidget(QtGui.QLabel(u"ν<sub>210F</sub>:"), 10, 1)
self.v210 = Entrada_con_unidades(Diffusivity)
self.v210.valueChanged.connect(partial(self.changeParams, "v210"))
layout.addWidget(self.v210, 10, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Refraction index")), 11, 1)
self.n = Entrada_con_unidades(float)
self.n.valueChanged.connect(partial(self.changeParams, "n"))
layout.addWidget(self.n, 11, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Huang parameter")), 12, 1)
self.I = Entrada_con_unidades(float)
self.I.valueChanged.connect(partial(self.changeParams, "I"))
layout.addWidget(self.I, 12, 2)
layout.addWidget(QtGui.QLabel("%S"), 13, 1)
self.S = Entrada_con_unidades(float, spinbox=True, step=1.0, max=100)
self.S.valueChanged.connect(partial(self.changeParams, "S"))
layout.addWidget(self.S, 13, 2)
layout.addWidget(QtGui.QLabel("%H"), 14, 1)
self.H = Entrada_con_unidades(float, spinbox=True, step=1.0, max=100)
self.H.valueChanged.connect(partial(self.changeParams, "H"))
layout.addWidget(self.H, 14, 2)
layout.addWidget(QtGui.QLabel("%N"), 15, 1)
self.N = Entrada_con_unidades(float, spinbox=True, step=1.0, max=100)
self.N.valueChanged.connect(partial(self.changeParams, "N"))
layout.addWidget(self.N, 15, 2)
layout.addWidget(QtGui.QLabel(QtGui.QApplication.translate(
"pychemqt", "Carbons number")), 19, 1)
self.carbonos = Entrada_con_unidades(int, width=50, spinbox=True,
step=1, start=7, min=5, max=100)
self.N.valueChanged.connect(partial(self.changeParams, "Nc"))
layout.addWidget(self.carbonos, 19, 2)
layout.addItem(QtGui.QSpacerItem(10, 10, QtGui.QSizePolicy.Expanding,
QtGui.QSizePolicy.Expanding), 3, 3, 15, 1)
self.checkCurva = QtGui.QCheckBox(QtGui.QApplication.translate(
"pychemqt", "Define destillation curve"))
layout.addWidget(self.checkCurva, 3, 4, 1, 2)
self.tipoCurva = QtGui.QComboBox()
self.tipoCurva.addItem("ASTM D86")
self.tipoCurva.addItem("TBP")
self.tipoCurva.addItem("EFV")
self.tipoCurva.addItem("ASTM D1186")
self.tipoCurva.addItem("ASTM D2887 (SD)")
self.tipoCurva.setEnabled(False)
layout.addWidget(self.tipoCurva, 4, 4, 1, 2)
self.textoPresion = QtGui.QLabel(
QtGui.QApplication.translate("pychemqt", "Pressure"))
self.textoPresion.setEnabled(False)
layout.addWidget(self.textoPresion, 5, 4)
self.presion = Entrada_con_unidades(Pressure, value=101325.)
self.presion.setEnabled(False)
self.presion.valueChanged.connect(partial(self.changeParams, "P_dist"))
layout.addWidget(self.presion, 5, 5)
self.curvaDestilacion = Tabla(
2, filas=1, horizontalHeader=["%dist", "Tb, "+Temperature.text()],
verticalHeader=False, dinamica=True)
self.curvaDestilacion.setEnabled(False)
self.curvaDestilacion.editingFinished.connect(self.changeCurva)
layout.addWidget(self.curvaDestilacion, 6, 4, 13, 2)
self.checkBlend = QtGui.QCheckBox(QtGui.QApplication.translate(
"pychemqt", "Blend if its necessary"))
layout.addWidget(self.checkBlend, 19, 4, 1, 2)
self.checkCurva.toggled.connect(self.tipoCurva.setEnabled)
self.checkCurva.toggled.connect(self.presion.setEnabled)
self.checkCurva.toggled.connect(self.textoPresion.setEnabled)
self.checkCurva.toggled.connect(self.curvaDestilacion.setEnabled)
layout.addItem(QtGui.QSpacerItem(20, 20, QtGui.QSizePolicy.Fixed,
QtGui.QSizePolicy.Fixed), 20, 1, 1, 2)
self.checkCrudo = QtGui.QCheckBox(QtGui.QApplication.translate(
"pychemqt", "Use petrol fraction from list"))
self.checkCrudo.toggled.connect(self.changeUnknown)
layout.addWidget(self.checkCrudo, 21, 1, 1, 2)
self.crudo = QtGui.QComboBox()
self.crudo.setEnabled(False)
self.crudo.addItem("")
for i in crudo[1:]:
self.crudo.addItem("%s (%s) API: %s %S: %s" % (i[0], i[1], i[3], i[4]))
# i[0]+" ("+i[1]+")"+" API: "+str(i[3])+" %S: "+str(i[4]))
self.crudo.currentIndexChanged.connect(partial(
self.changeParams, "indice"))
layout.addWidget(self.crudo, 23, 1, 1, 5)
layout.addWidget(QtGui.QLabel("Pseudo C+"), 24, 1)
self.Cplus = Entrada_con_unidades(int, width=50, spinbox=True, step=1,
min=6)
self.Cplus.valueChanged.connect(partial(self.changeParams, "Cplus"))
layout.addWidget(self.Cplus, 24, 2)
self.checkCrudo.toggled.connect(self.crudo.setEnabled)
self.checkCrudo.toggled.connect(self.Cplus.setEnabled)
layout.addItem(QtGui.QSpacerItem(5, 5, QtGui.QSizePolicy.Expanding,
QtGui.QSizePolicy.Expanding), 29, 1, 1, 2)
newComponent.loadUI(self)
self.Petroleo = Petroleo()
self.Crudo = Crudo()
def __init__(self, equipment=None, parent=None):
"""
equipment: Initial equipment instance to model
"""
super().__init__(Baghouse, entrada=False, parent=parent)
# Efficiency tab
title = [QtWidgets.QApplication.translate("pychemqt", "Diameter") +
", " + Length.text("ParticleDiameter"),
QtWidgets.QApplication.translate("pychemqt", "Efficiency")]
self.efic = Tabla(2, horizontalHeader=title, filas=1, stretch=False)
self.efic.setColumnReadOnly(0, True)
self.efic.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.efic.editingFinished.connect(self.cambiarRendimientos)
self.tabWidget.insertTab(
1, self.efic,
QtWidgets.QApplication.translate("pychemqt", "Efficiencies"))
# Calculate tab
lyt_Calc = QtWidgets.QGridLayout(self.tabCalculo)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Mode")), 1, 1)
self.metodo = QtWidgets.QComboBox()
for txt in self.Equipment.TEXT_TIPO:
self.metodo.addItem(txt)
self.metodo.currentIndexChanged.connect(self.tipoCalculoCambiado)
lyt_Calc.addWidget(self.metodo, 1, 2, 1, 3)
lyt_Calc.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed),
2, 1, 1, 6)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "No cells")), 3, 1)
self.num_filtros = Entrada_con_unidades(
int, spinbox=True, step=1, min=1, width=50, resaltado=True,
start=1)
self.num_filtros.valueChanged.connect(
partial(self.changeParams, "num_filtros"))
lyt_Calc.addWidget(self.num_filtros, 3, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Time")), 4, 1)
self.tiempo = Entrada_con_unidades(Time, resaltado=True)
self.tiempo.valueChanged.connect(partial(self.changeParams, "tiempo"))
lyt_Calc.addWidget(self.tiempo, 4, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Pressure drop")), 5, 1)
self.deltaP = Entrada_con_unidades(Pressure, retornar=False)
self.deltaP.setReadOnly(True)
self.deltaP.valueChanged.connect(partial(self.changeParams, "deltaP"))
lyt_Calc.addWidget(self.deltaP, 5, 2)
lyt_Calc.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed),
6, 1, 1, 6)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Bags per cell")), 7, 1)
self.membranasFiltro = Entrada_con_unidades(int, spinbox=True, step=1,
min=1)
self.membranasFiltro.valueChanged.connect(
partial(self.changeParams, "membranasFiltro"))
lyt_Calc.addWidget(self.membranasFiltro, 7, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Bag diameter")), 8, 1)
self.diametroMembrana = Entrada_con_unidades(Length)
self.diametroMembrana.valueChanged.connect(
partial(self.changeParams, "diametroMembrana"))
lyt_Calc.addWidget(self.diametroMembrana, 8, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Area per bag")), 9, 1)
self.areaMembrana = Entrada_con_unidades(Area)
self.areaMembrana.valueChanged.connect(
partial(self.changeParams, "areaMembrana"))
lyt_Calc.addWidget(self.areaMembrana, 9, 2)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Cloth resistence")), 7, 4)
self.resistenciaFiltro = Entrada_con_unidades(float)
self.resistenciaFiltro.valueChanged.connect(
partial(self.changeParams, "resistenciaFiltro"))
lyt_Calc.addWidget(self.resistenciaFiltro, 7, 5)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Cake resistence")), 8, 4)
self.resistenciaTorta = Entrada_con_unidades(float)
self.resistenciaTorta.valueChanged.connect(
partial(self.changeParams, "resistenciaTorta"))
lyt_Calc.addWidget(self.resistenciaTorta, 8, 5)
lyt_Calc.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Cells cleaned")), 9, 4)
self.limpieza = Entrada_con_unidades(int, spinbox=True, step=1, min=0)
self.limpieza.valueChanged.connect(
partial(self.changeParams, "limpieza"))
lyt_Calc.addWidget(self.limpieza, 9, 5)
lyt_Calc.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 10, 1, 1, 6)
groupbox = QtWidgets.QGroupBox(
QtWidgets.QApplication.translate("pychemqt", "Results"))
lyt_Calc.addWidget(groupbox, 11, 1, 1, 5)
lyt = QtWidgets.QGridLayout(groupbox)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "No cells")), 1, 1)
self.num_filtrosCalc = Entrada_con_unidades(int, readOnly=True)
lyt.addWidget(self.num_filtrosCalc, 1, 2)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Time")), 2, 1)
self.tiempoCalc = Entrada_con_unidades(Time, readOnly=True)
lyt.addWidget(self.tiempoCalc, 2, 2)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Pressure drop")), 3, 1)
self.deltaPCalc = Entrada_con_unidades(Pressure, readOnly=True)
lyt.addWidget(self.deltaPCalc, 3, 2)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Gas velocity")), 1, 4)
self.Vgas = Entrada_con_unidades(Speed, retornar=False, readOnly=True)
lyt.addWidget(self.Vgas, 1, 5)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Efficiency")), 2, 4)
self.rendimiento = Entrada_con_unidades(float, readOnly=True)
lyt.addWidget(self.rendimiento, 2, 5)
lyt.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Area")), 3, 4)
self.floorArea = Entrada_con_unidades(Area, readOnly=True)
lyt.addWidget(self.floorArea, 3, 5)
lyt_Calc.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 12, 1, 1, 6)
# Output tab
self.addSalida(
QtWidgets.QApplication.translate("pychemqt", "Filtered gas"))
self.addSalida(
QtWidgets.QApplication.translate("pychemqt", "Collected solids"))
if equipment:
self.setEquipment(equipment)
class Binary_distillation(QtWidgets.QDialog):
title = QtWidgets.QApplication.translate("pychemqt", "x-y Distillation")
def __init__(self,
indices=None,
nombres=None,
x=None,
y=None,
parent=None):
super(Binary_distillation, self).__init__(parent)
self.setWindowTitle(self.title)
layout = QtWidgets.QGridLayout(self)
layout.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("equipment", "Component 1:")),
1, 1)
self.Comp1 = QtWidgets.QComboBox()
layout.addWidget(self.Comp1, 1, 2)
layout.addWidget(
QtWidgets.QLabel(
QtWidgets.QApplication.translate("equipment", "Component 2:")),
1, 4)
self.Comp2 = QtWidgets.QComboBox()
layout.addWidget(self.Comp2, 1, 5)
self.indices = indices
self.nombres = nombres
for i, nombre in enumerate(nombres):
self.Comp1.addItem("%i - %s" % (i + 1, nombre))
self.Comp2.addItem("%i - %s" % (i + 1, nombre))
self.Comp2.setCurrentIndex(1)
tab = QtWidgets.QTabWidget()
layout.addWidget(tab, 2, 1, 1, 5)
self.plot = mpl()
tab.addTab(self.plot,
QtWidgets.QApplication.translate("equipment", "Plot"))
self.tabla = Tabla(2,
horizontalHeader=["x", "y"],
stretch=False,
readOnly=True)
tab.addTab(self.tabla,
QtWidgets.QApplication.translate("equipment", "Table"))
self.Comp1.currentIndexChanged.connect(self.calculo)
self.Comp2.currentIndexChanged.connect(self.calculo)
if x and y:
self.rellenar(x, y)
else:
self.calculo()
def rellenar(self, x, y):
self.x = x
self.y = y
self.plot.axes2D.clear()
self.plot.data([0, 1], [0, 1], x, y, 'ro')
self.tabla.setData(transpose([x, y]))
def calculo(self):
ind1 = self.Comp1.currentIndex()
ind2 = self.Comp2.currentIndex()
if ind1 != ind2:
zi = arange(0.025, 1., 0.025)
id1 = self.indices[ind1]
id2 = self.indices[ind2]
x = [0]
y = [0]
for z in zi:
try:
fraccion = [0.] * len(self.indices)
fraccion[ind1] = z
fraccion[ind2] = 1 - z
mez = Mezcla(tipo=3,
fraccionMolar=fraccion,
caudalMasico=1.)
tb = mez.componente[0].Tb
corr = Corriente(T=tb, P=101325., mezcla=mez)
T = corr.eos._Dew_T()
corr = Corriente(T=T, P=101325., mezcla=mez)
while corr.Liquido.fraccion[0] == corr.Gas.fraccion[
0] and corr.T < corr.mezcla.componente[1].Tb:
corr = Corriente(T=corr.T - 0.1, P=101325., mezcla=mez)
x.append(corr.Liquido.fraccion[0])
y.append(corr.Gas.fraccion[0])
except:
pass
x.append(1)
y.append(1)
self.rellenar(x, y)
def writeToStream(self, stream):
stream.writeInt32(self.widget().Comp1.currentIndex())
stream.writeInt32(self.widget().Comp2.currentIndex())
stream.writeInt32(len(self.widget().x))
for i in self.widget().x:
stream.writeFloat(i)
for i in self.widget().y:
stream.writeFloat(i)
@classmethod
def readToStream(cls, stream):
id1 = stream.readInt32()
id2 = stream.readInt32()
len = stream.readInt32()
x = []
for i in range(len):
x.append(stream.readFloat())
y = []
for i in range(len):
y.append(stream.readFloat())
self.plot(0, x, y)
class Entrada_Datos(QtWidgets.QDialog):
"""Table data input dialog"""
def __init__(self,
data=None,
t=[],
property=[],
horizontalHeader=[],
title="",
help=False,
helpFile="",
DIPPR=False,
tc=0,
tcValue=None,
eq=1,
parent=None):
"""
title: window title
data: mrray with original data
t: values for x column, generally temperature
property: values for 2...n columns
horizontalHeader: List with column title
help: boolean to show help button
helpFile: Path for help file, file or url
DIPPR: boolean to show DIPPR widget
tc: boolean to show critical temperature (same DIPPR eq need it)
tcValue: value for critical temperature
eq: Value for DIPPR equation
"""
super(Entrada_Datos, self).__init__(parent)
self.setWindowTitle(title)
self.columnas = len(horizontalHeader)
self.horizontalHeader = horizontalHeader
self.title = title
self.helpFile = helpFile
gridLayout = QtWidgets.QGridLayout(self)
self.botonAbrir = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileOpen.png")),
QtWidgets.QApplication.translate("pychemqt", "Open"))
self.botonAbrir.clicked.connect(self.Abrir)
gridLayout.addWidget(self.botonAbrir, 1, 1)
self.botonGuardar = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/fileSave.png")),
QtWidgets.QApplication.translate("pychemqt", "Save"))
self.botonGuardar.clicked.connect(self.Guardar)
gridLayout.addWidget(self.botonGuardar, 1, 2)
self.botonDelete = QtWidgets.QPushButton(
QtGui.QIcon(
QtGui.QPixmap(os.environ["pychemqt"] +
"/images/button/clear.png")),
QtWidgets.QApplication.translate("pychemqt", "Clear"))
self.botonDelete.clicked.connect(self.Borrar)
gridLayout.addWidget(self.botonDelete, 1, 3)
gridLayout.addItem(
QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 1, 4)
self.tabla = Tabla(self.columnas,
horizontalHeader=horizontalHeader,
verticalHeader=False,
stretch=False)
self.tabla.setConnected()
if data:
self.tabla.setData(data)
self.tabla.addRow()
elif t and property:
self.tabla.setColumn(0, t)
self.tabla.setColumn(1, property)
gridLayout.addWidget(self.tabla, 2, 1, 1, 4)
if DIPPR:
self.eqDIPPR = eqDIPPR(eq)
gridLayout.addWidget(self.eqDIPPR, 3, 1, 1, 4)
self.eqDIPPR.eqDIPPR.valueChanged.connect(self.showTc)
if tc:
lyt = QtWidgets.QHBoxLayout()
self.labelTc = QtWidgets.QLabel("Tc: ", self)
lyt.addWidget(self.labelTc)
self.tc = Entrada_con_unidades(Temperature, value=tcValue)
lyt.addWidget(self.tc)
lyt.addItem(
QtWidgets.QSpacerItem(0, 0, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding))
gridLayout.addItem(lyt, 4, 1, 1, 4)
self.showTc(1)
if help:
botones = QtWidgets.QDialogButtonBox.Help | \
QtWidgets.QDialogButtonBox.Cancel | \
QtWidgets.QDialogButtonBox.Ok
else:
botones = QtWidgets.QDialogButtonBox.Cancel | \
QtWidgets.QDialogButtonBox.Ok
self.boton = QtWidgets.QDialogButtonBox(botones)
self.boton.accepted.connect(self.accept)
self.boton.rejected.connect(self.reject)
self.boton.helpRequested.connect(self.ayuda)
gridLayout.addWidget(self.boton, 5, 1, 1, 4)
def showTc(self, value):
self.labelTc.setVisible(value in (7, 9))
self.tc.setVisible(value in (7, 9))
def Abrir(self):
fname = QtWidgets.QFileDialog.getOpenFileName(
self, QtWidgets.QApplication.translate("pychemqt",
"Open text file"), "./")
if fname:
data = loadtxt(fname)
self.tabla.setData(data)
self.tabla.addRow()
def Guardar(self):
fname = QtWidgets.QFileDialog.getSaveFileName(
self,
QtWidgets.QApplication.translate("pychemqt", "Save data to file"),
"./")
if fname:
with open(fname, 'w') as file:
file.write("#" + self.title + "\n")
file.write("#")
try:
for i in self.horizontalHeader:
file.write(i + "\t")
except UnicodeEncodeError:
pass
file.write("\n")
data = self.data
for fila in range(len(data)):
for columna in range(self.tabla.columnCount()):
file.write(str(data[fila][columna]) + "\t")
file.write("\n")
def Borrar(self):
"""Clear table"""
self.tabla.setRowCount(1)
self.tabla.clearContents()
def ayuda(self):
"""Show help file"""
url = QtCore.QUrl(self.helpFile)
QtGui.QDesktopServices.openUrl(url)
@property
def data(self):
return self.tabla.getData()
def __init__(self, elemento, parent=None):
super(ElementDialog, self).__init__(parent)
self.setWindowTitle(QtWidgets.QApplication.translate(
"pychemqt", "Properties of "+elemento.name))
lyt = QtWidgets.QVBoxLayout(self)
tabWidget = QtWidgets.QTabWidget()
lyt.addWidget(tabWidget)
buttonbox = QtWidgets.QDialogButtonBox(QtWidgets.QDialogButtonBox.Close)
buttonbox.rejected.connect(self.reject)
lyt.addWidget(buttonbox)
tabGeneral = QtWidgets.QWidget()
layoutGeneral = QtWidgets.QGridLayout(tabGeneral)
layoutGeneral.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Name:")), 1, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(elemento.name), 1, 2)
layoutGeneral.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Serie:")), 2, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(elemento.serie), 2, 2)
layoutGeneral.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Group")), 3, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(str(elemento.group)), 3, 2)
layoutGeneral.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Period")), 4, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(str(elemento.period)), 4, 2)
layoutGeneral.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Block")), 5, 1)
layoutGeneral.addWidget(QtWidgets.QLabel(elemento.block), 5, 2)
layoutGeneral.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed),
6, 1)
label = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "History"))
font = QtGui.QFont()
font.setWeight(75)
font.setBold(True)
label.setFont(font)
layoutGeneral.addWidget(label, 7, 1, 1, 3)
label_8 = QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Discovery") + ": " +
elemento.country + "(" + elemento.country + ")" +os.linesep +
QtWidgets.QApplication.translate("pychemqt", "Discovered by ") +
elemento.discover + os.linesep +
QtWidgets.QApplication.translate("pychemqt", "Etymology") + ": " +
elemento.etymology)
label_8.setMargin(5)
label_8.setWordWrap(True)
layoutGeneral.addWidget(label_8, 8, 1, 1, 3)
self.botoncito = QtWidgets.QLabel()
self.botoncito.setStyleSheet(
"background-color: %s;" % elemento.color)
self.botoncito.setFrameShape(QtWidgets.QFrame.StyledPanel)
self.botoncito.setFixedSize(60, 60)
layoutGeneral.addWidget(self.botoncito, 1, 5, 3, 1)
label = QtWidgets.QLabel()
label.setText(str(elemento.id))
label.setAlignment(QtCore.Qt.AlignCenter | QtCore.Qt.AlignBottom)
layoutGeneral.addWidget(label, 1, 5)
label = QtWidgets.QLabel(elemento.symbol)
font.setPointSize(12)
label.setFont(font)
label.setAlignment(QtCore.Qt.AlignCenter | QtCore.Qt.AlignBottom)
layoutGeneral.addWidget(label, 2, 5)
layoutGeneral.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 9, 3)
tabWidget.addTab(tabGeneral, QtWidgets.QApplication.translate(
"pychemqt", "General"))
tabFisica = QtWidgets.QWidget()
lytphy = QtWidgets.QGridLayout(tabFisica)
lytphy.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Fase:")), 1, 1)
lytphy.addWidget(QtWidgets.QLabel(elemento.phase + " a 0ºC"),
1, 2, 1, 1)
if elemento.density_Solid:
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Solid Density:")), 2, 1)
lytphy.addWidget(self.drawData(
unidades.Density, elemento.density_Solid, "gcc", txt=" @ 20ºC"),
2, 2)
if elemento.density_Liq:
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Liquid Density:")), 3, 1)
lytphy.addWidget(self.drawData(
unidades.Density, elemento.density_Liq, "gcc", txt=" " +
QtWidgets.QApplication.translate("pychemqt", "at melting point")),
3, 2)
if elemento.density_Gas:
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Gas Density:")), 4, 1)
lytphy.addWidget(self.drawData(
unidades.Density, elemento.density_Gas, "gl", txt=" @ 0ºC"),
4, 2)
lytphy.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate("pychemqt", "Appearance:")), 5, 1)
label = QtWidgets.QLabel(elemento.appearance)
label.setWordWrap(True)
lytphy.addWidget(label, 5, 2)
lytphy.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed),
6, 1, 1, 3)
label = QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Thermal properties"))
label.setFont(font)
lytphy.addWidget(label, 7, 1)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Melting point:")), 8, 1)
self.punto_fusion = self.drawData(
unidades.Temperature, elemento.Tf)
lytphy.addWidget(self.punto_fusion, 8, 2)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Boiling point:")), 9, 1)
self.punto_ebullicion = self.drawData(
unidades.Temperature, elemento.Tb)
lytphy.addWidget(self.punto_ebullicion, 9, 2)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Heat of fusion:")), 10, 1)
self.calor_fusion = self.drawData(
unidades.MolarEnthalpy, elemento.Heat_f, "kJkmol")
lytphy.addWidget(self.calor_fusion, 10, 2)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Heat of vaporization:")), 11, 1)
self.calor_vaporizacion = self.drawData(
unidades.MolarEnthalpy, elemento.Heat_b, "kJkmol")
lytphy.addWidget(self.calor_vaporizacion, 11, 2)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Specific heat capacity:")), 12, 1)
self.capacidad_calorifica = self.drawData(
unidades.SpecificHeat, elemento.Cp, "JgK")
lytphy.addWidget(self.capacidad_calorifica, 12, 2)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Thermal conductivity:")), 13, 1)
self.conductividad_termica = self.drawData(
unidades.ThermalConductivity, elemento.k,
txt=" @ 300K")
lytphy.addWidget(self.conductividad_termica, 13, 2)
lytphy.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Debye Temperature:")), 14, 1)
self.temperatura_debye = self.drawData(
unidades.Temperature, elemento.T_debye)
lytphy.addWidget(self.temperatura_debye, 14, 2)
lytphy.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 15, 1, 1, 3)
tabWidget.addTab(tabFisica, QtWidgets.QApplication.translate(
"pychemqt", "Physical properties"))
tabAtom = QtWidgets.QWidget()
lyt_A = QtWidgets.QGridLayout(tabAtom)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Atomic mass:")), 1, 1)
if elemento.atomic_mass:
self.masa_atomica = QtWidgets.QLabel(
str(elemento.atomic_mass) +" g/mol")
else:
self.masa_atomica = QtWidgets.QLabel(elemento.atomic_mass)
lyt_A.addWidget(self.masa_atomica, 1, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Atomic Volume:")), 2, 1)
self.volumen_atomico = self.drawData(unidades.MolarVolume,
elemento.atomic_volume)
lyt_A.addWidget(self.volumen_atomico, 2, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Atomic radius:")), 3, 1)
if elemento.atomic_radius:
self.radio_atomico = QtWidgets.QLabel(
str(elemento.atomic_radius) + " pm")
else:
self.radio_atomico = QtWidgets.QLabel(elemento.atomic_radius)
lyt_A.addWidget(self.radio_atomico, 3, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Covalent radius:")), 4, 1)
if elemento.covalent_radius:
self.radio_covalente = QtWidgets.QLabel(
str(elemento.covalent_radius) + " pm")
else:
self.radio_covalente = QtWidgets.QLabel(
str(elemento.covalent_radius))
lyt_A.addWidget(self.radio_covalente, 4, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Van der Waals radius:")), 5, 1)
if elemento.vanderWaals_radius:
self.radio_waals = QtWidgets.QLabel(
str(elemento.vanderWaals_radius) + " pm")
else:
self.radio_waals = QtWidgets.QLabel(
str(elemento.vanderWaals_radius))
lyt_A.addWidget(self.radio_waals, 5, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Ionic radii:")), 6, 1)
if elemento.ionic_radii:
self.radio_ionico = QtWidgets.QLabel(
str(elemento.ionic_radii) + " pm")
else:
self.radio_ionico = QtWidgets.QLabel(str(elemento.ionic_radii))
lyt_A.addWidget(self.radio_ionico, 6, 2)
lyt_A.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Fixed, QtWidgets.QSizePolicy.Fixed),
7, 1, 1, 3)
label = QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Electronic properties"))
label.setFont(font)
lyt_A.addWidget(label, 8, 1)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Electronic configuration:")), 9, 1)
lyt_A.addWidget(QtWidgets.QLabel(
elemento.electron_configuration), 9, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Oxidation states:")), 10, 1)
lyt_A.addWidget(QtWidgets.QLabel(
elemento.oxidation), 10, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Electronegativity:")), 11, 1)
lyt_A.addWidget(QtWidgets.QLabel(
str(elemento.electronegativity)), 11, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Electron affinity:")), 12, 1)
self.afinidad_electronica = self.drawData(
unidades.MolarEnthalpy, elemento.electron_affinity, "kJkmol")
lyt_A.addWidget(self.afinidad_electronica, 12, 2)
lyt_A.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "1st ionization energy:")), 13, 1)
self.energia_ionizacion = self.drawData(
unidades.MolarEnthalpy, elemento.first_ionization, "kJkmol")
lyt_A.addWidget(self.energia_ionizacion, 13, 2)
lyt_A.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 14, 1, 1, 3)
tabWidget.addTab(tabAtom, QtWidgets.QApplication.translate(
"pychemqt", "Atomic properties"))
tabCristal = QtWidgets.QWidget()
lyt_C = QtWidgets.QGridLayout(tabCristal)
lyt_C.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Lattice type:")), 1, 1)
lyt_C.addWidget(QtWidgets.QLabel(
elemento.lattice_type), 1, 2)
lyt_C.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Space group:")), 2, 1)
lyt_C.addWidget(QtWidgets.QLabel(
elemento.space_group), 2, 2)
lyt_C.addWidget(QtWidgets.QLabel(
QtWidgets.QApplication.translate(
"pychemqt", "Lattice edge lengths:")), 3, 1)
self.lados = QtWidgets.QLabel()
if elemento.lattice_edges:
self.lados.setText("%spm, %spm, %spm" % (
elemento.lattice_edges[0], elemento.lattice_edges[1],
elemento.lattice_edges[2]))
else:
self.lados.setText(elemento.lattice_edges)
lyt_C.addWidget(self.lados, 3, 2)
lyt_C.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Lattice angles:")), 4, 1)
self.angulos = QtWidgets.QLabel()
if elemento.lattice_angles:
self.angulos.setText("%sº, %sº, %sº" % (
elemento.lattice_angles[0], elemento.lattice_angles[1],
elemento.lattice_angles[2]))
else:
self.angulos.setText(elemento.lattice_angles)
lyt_C.addWidget(self.angulos, 4, 2)
lyt_C.addWidget(QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Lattice unit volume:")), 5, 1)
self.volumen_celda = QtWidgets.QLabel()
if elemento.lattice_angles:
self.volumen_celda.setText("%0.5f mm<sup>3</sup>"
% elemento.lattice_volume)
else:
self.volumen_celda.setText(elemento.lattice_volume)
lyt_C.addWidget(self.volumen_celda, 5, 2)
lyt_C.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 6, 1, 1, 3)
label = QtWidgets.QLabel(QtWidgets.QApplication.translate(
"pychemqt", "Isotopes"))
label.setFont(font)
lyt_C.addWidget(label, 8, 1)
title = [QtWidgets.QApplication.translate("pychemqt", "Mass Number"),
QtWidgets.QApplication.translate("pychemqt", "Mass"),
QtWidgets.QApplication.translate("pychemqt", "Abundance")]
self.isotopes = Tabla(3, horizontalHeader=title, readOnly=True,
stretch=True, verticalHeader=False)
self.isotopes.setSelectionBehavior(QtWidgets.QAbstractItemView.SelectRows)
self.isotopes.setColumn(0, [iso[0] for iso in elemento.isotopes], decimales=0)
self.isotopes.setColumn(1, [iso[1] for iso in elemento.isotopes], format=1, decimales=10)
self.isotopes.setColumn(2, [iso[2] for iso in elemento.isotopes], format=1, decimales=10)
lyt_C.addWidget(self.isotopes, 9, 1, 1, 2)
lyt_C.addItem(QtWidgets.QSpacerItem(
20, 20, QtWidgets.QSizePolicy.Expanding,
QtWidgets.QSizePolicy.Expanding), 10, 1, 1, 3)
tabWidget.addTab(tabCristal,
QtWidgets.QApplication.translate("pychemqt", "Crystallographic"))