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()
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 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()
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)
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, 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)