def editsolid(self, number):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
SolidDatabaseEditor(self.top,
self.system,
self.solids[number - 1],
self.solids,
editflag=1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.solids[number - 1].get_solid(self.top.window)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatesolids()
def editevap(self, event=None):
if self.Evap.get() == 'First order':
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
EvapEditor(self.top, self.version, self.fonttype,
self.timeunit, self.lengthunit, self.chemicals,
self.kevaps))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
for n in range(len(self.chemicals)):
if self.chemicals[n].soluable == 1:
self.kevaps[n] = self.top.window.kevaps[n].get()
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
def deletelayer(self, number):
if self.layers[0].number == 0: layer = self.layers[number]
else: layer = self.layers[number - 1]
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(LayerDeleter(self.top, self.system, layer))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
layer.remove_propertywidgets()
if self.editflag == 1:
new_record = self.num_record[:self.layers.index(layer)] + self.num_record[self.layers.index(layer)+1:]
self.num_record = new_record
self.layers.remove(layer)
self.nlayers = self.nlayers - 1
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.system.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatelayers()
def loadmatrix(self, default = None):
self.nmatrices = self.nmatrices + 1
self.matrices.append(Matrix(self.nmatrices))
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(MatrixEditor(self.top, self.system, self.matrices[-1], self.matrices, self.materials, editflag = 0, newflag = 0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.matrices[-1].get_matrix(self.top.window)
else:
self.matrices.remove(self.matrices[-1])
self.nmatrices = self.nmatrices - 1
if len(self.matrices) > 0:
for component in self.matrices[-1].components:
for matrix in self.matrices[:-1]:
for sub_component in matrix.components:
if sub_component.name == component.name:
sub_component.e = component.e
sub_component.rho = component.rho
sub_component.foc = component.foc
if len(matrix.components) > 1:
e = 0
rho = 0
moc = 0
foc = 0
fractions = 0
for component in matrix.components:
fractions = fractions + component.fraction
e = e + component.fraction * component.e
rho = rho + component.fraction * component.rho
moc = moc + component.fraction * component.rho * component.foc
foc = moc/rho
matrix.e = (round(e,2))
matrix.rho = (round(rho,3))
matrix.foc = (round(foc,3))
else:
matrix.e = matrix.components[-1].e
matrix.rho = matrix.components[-1].rho
matrix.foc = matrix.components[-1].foc
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.system.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatematrices()
def deletesolid(self, number):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
SolidDatabaseDeleter(self.top, self.system,
self.solids[number - 1]))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.solids[number - 1].remove_propertieswidget()
self.solids.remove(self.solids[number - 1])
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatesolids()
def editcoefficient(self, layername, reactionname):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
CoefficientEditor(self.top,
self.system,
self.coefficients[layername][reactionname],
self.coefficients,
editflag=1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.coefficients[layername][reactionname].get_coefficients(
self.top.window)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatecoefficients()
def editchemicaldata(self, name):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
DatabaseEditor(self.top,
self.system,
self.chemicaldatas[name],
self.chemicaldatas,
editflag=1,
tempflag=0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicaldatas[name].get_chemicaldata(self.top.window)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatechemicals()
def editsorption(self, component, chemical):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
SorptionEditor(self.top, self.system,
self.sorptions[component][chemical]))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.sorptions[component][chemical].get_sorption(
self.top.window)
row = self.sorptions[component][chemical].row
self.sorptions[component][chemical].remove_propertieswidgets()
self.sorptions[component][chemical].propertieswidgets(
self.frame, row, self.master, self.timeunit, self.concunit)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus(component, chemical)
def addchemical(self, event=None):
self.nchemicals = self.nchemicals + 1
self.chemicals.append(Chemical(self.nchemicals, soluable=1))
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
ChemicalEditor(self.top,
self.system,
self.chemicals[-1],
self.chemicals,
self.database,
editflag=0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicals[-1].get_chemical(self.top.window)
else:
self.chemicals.remove(self.chemicals[-1])
self.nchemicals = self.nchemicals - 1
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatechemicals()
def importsoliddata(self):
UserPath = os.environ['USERPROFILE']
Filepath = tkfd.askopenfilename(initialdir=UserPath)
if Filepath != '':
data = open(Filepath, 'r')
database_imported = pickle.load(data)
data.close()
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
SolidDatabaseImporter(self.top, self.system,
database_imported))
self.top.tk.mainloop()
duplicate_name = []
if self.top.window.cancelflag == 0:
error_check = 0
for solid in self.top.window.solids:
if solid.check == 1:
if self.solids_list.count(solid.name_new) == 0:
self.solids_list.append(solid.name_new)
self.solids.append(
Solid(
self.solids_list.index(
solid.name_new)))
self.solids[-1].import_coefficients(solid)
else:
duplicate_name.append(solid.name_new)
error_check = 1
error_message = 'The following compound information are duplicated:\n\n'
for na in range(len(duplicate_name)):
error_message = error_message + ' ' + str(
duplicate_name[na]) + ' \n'
if error_check == 1:
tkmb.showerror(title=self.system.version,
message=error_message)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatesolids()
def get_reactioncoefficients(system, step):
"""Get some basic parameters for each layer."""
root_step = 0
if len(system.reactions) > 0:
root = CapSimWindow(master=None, buttons=1)
root.make_window(ReactionCoefficients(root, system, editflag=0))
root.mainloop()
if root.main.get() == 1: system = None
else:
root_step = root.step.get()
if root.step.get() == 1:
system.get_reactioncoefficients(root.window)
for layer in system.layers:
layer.remove_reactionwidgets()
for reaction in system.reactions:
system.coefficients[layer.name][
reaction.name].remove_propertieswidgets()
else:
system.coefficients = None
root.destroy()
else:
if system.coefficients == None:
root_step = 1
system.coefficients = {}
for layer in system.layers:
system.coefficients[layer.name] = {}
else:
system.coefficients = None
root_step = -1
return system, step + root_step
def k_estimator(self, event = None):
k_error = 0
coef = []
coef.append(self.cinit)
coef.append(self.qinit)
coef.append(self.thalf)
coef.append(self.ksorp.get())
if self.isotherm.get() == self.isotherms[0]:
coef.append(self.K.get())
coef.append(0)
if self.K.get() == 0:
K_error = 1
if self.isotherm.get() == self.isotherms[1]:
coef.append(self.Koc.get())
coef.append(self.sorption.matrix.foc)
if self.Koc.get() == 0:
K_error = 1
if self.isotherm.get() == self.isotherms[2]:
coef.append(self.Kf.get())
coef.append(self.N.get())
if self.Kf.get() == 0 or self.N.get() == 0:
K_error = 1
if self.isotherm.get() == self.isotherms[3]:
coef.append(self.qmax.get())
coef.append(self.b.get())
if self.qmax.get() == 0 or self.b.get() == 0:
K_error = 1
coef.append(self.sorption.matrix.e)
coef.append(self.sorption.matrix.rho)
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(K_Estimator(self.top, self.system, self.isotherm.get(), coef))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.ksorp.set(self.top.window.ksorp.get())
self.cinit = self.top.window.cinit.get()
self.qinit = self.top.window.qinit.get()
self.thalf = self.top.window.thalf.get()
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
def get_sorptionproperties(system, step):
"""Get some basic parameters for each layer."""
root = CapSimWindow(master=None, buttons=1)
root.make_window(SorptionProperties(root, system))
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_sorptionproperties(root.window)
for component in system.components:
component.remove_sorptionwidgets()
for chemical in system.chemicals:
if chemical.soluable == 1:
chemical.remove_sorptionwidgets()
for component in system.components:
for chemical in system.chemicals:
if chemical.soluable == 1:
system.sorptions[component.name][
chemical.name].remove_propertieswidgets()
else:
system.sorptions = None
root.destroy()
return system, step + root.step.get()
def get_systemproperties(system, step):
"""Get flow and system parameters."""
root = CapSimWindow(buttons=1)
root.make_window(SystemProperties(root, system))
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_systemproperties(root.window)
else:
system.adv = 'None'
system.bio = 'None'
system.con = 'None'
system.Vdar = 0
system.Vtidal = 0
system.ptidal = 1
system.sigma = 10
system.hbio = 10
system.Dbiop = 1
system.Dbiopw = 100
system.hcon = 0
system.t90 = 1
root.destroy()
return system, step + root.step.get()
def get_layerconditions(system, step):
"""Get specific parameters for the layers."""
root = CapSimWindow(buttons=1)
root.make_window(LayerConditions(root, system))
root.okbutton.focus_set()
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_layerconditions(root.window)
for layer in system.layers:
layer.get_layerconditions()
layer.remove_ICwidgets()
for chemical in system.chemicals:
if chemical.soluable == 1:
system.ICs[layer.name][chemical.name].remove_widgets()
for chemical in system.chemicals:
if chemical.soluable == 1:
chemical.remove_ICwidgets()
system.BCs[chemical.name].remove_widgets()
else:
system.ICs = None
system.BCs = None
for layer in system.layers:
layer.ICtype = 'Uniform'
layer.remove_ICwidgets()
root.destroy()
return system, step + root.step.get()
def get_solidlayerconditions(system, step):
root_step = 0
solid_check = 0
for chemical in system.chemicals:
for component in system.components:
if system.sorptions[component.name][
chemical.name].kinetic == 'Transient':
solid_check = 1
if solid_check == 1:
root = CapSimWindow(buttons=1)
root.make_window(SolidLayerConditions(root, system))
root.okbutton.focus_set()
root.mainloop()
if root.main.get() == 1: system = None
else:
root_step = root.step.get()
if root.step.get() == 1:
system.get_solidlayerconditions(root.window)
for layer in system.layers:
layer.remove_SolidICwidgets()
for component in system.matrices[
layer.type_index].components:
component.remove_SolidICswidgets()
for chemical in system.chemicals:
system.SolidICs[layer.name][component.name][
chemical.name].remove_widgets()
for chemical in system.chemicals:
try:
chemical.remove_ICwidgets()
except:
pass
else:
system.SolidICs = None
root.destroy()
else:
if system.SolidICs == None:
root_step = 1
system.SolidICs = {}
for layer in system.layers:
system.SolidICs[layer.name] = {}
for component in system.matrices[layer.type_index].components:
system.SolidICs[layer.name][component.name] = {}
for chemical in system.chemicals:
system.SolidICs[layer.name][component.name][
chemical.name] = SolidIC(layer.name,
component.name,
chemical.name)
else:
system.SolidICs = None
root_step = -1
return system, step + root_step
def click_model(self, event=None):
check = 0
reactant_list = [reactant.name.get() for reactant in self.reactants]
for name in reactant_list:
if reactant_list.count(name) > 1:
check = 1
if len(self.reactants) == 0:
tkmb.showerror(
title=self.system.version,
message='Please firstly input the information of reactants.')
self.model.set('Fundamental')
self.focusbutton = self.okbutton
self.master.tk.lift()
elif check == 1:
tkmb.showerror(
title=self.system.version,
message=
'At least one chemical is replicated in the reactant list, please check'
)
self.model.set('Fundamental')
self.focusbutton = self.okbutton
self.master.tk.lift()
else:
if self.model.get() == 'User-defined':
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
UserDefined(self.top, self.system, self.reactants))
self.top.tk.mainloop()
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.'
)
self.top.tk.focus()
self.updaterateequation()
def edit_soliddatabase(soliddatabase, system):
"""Makes the GUI that is used to edit the chemical database."""
root = CapSimWindow(master=None, buttons=None)
root.make_window(Database(root, system, soliddatabase))
root.mainloop()
database = root.window.database
flag = root.window.exitflag
root.destroy()
return database, flag
def show_help(system):
"""Shows the main menu."""
root = CapSimWindow(buttons = 2)
root.make_window(Help(root, system))
root.mainloop()
flag = root.main.get()
root.destroy()
return flag
def deletechemical(self, number):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
ChemicalDeleter(self.top, self.system,
self.chemicals[number - 1]))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicals[number - 1].remove_chemicalwidgets()
self.chemicals.remove(self.chemicals[number - 1])
self.nchemicals = self.nchemicals - 1
if self.top is not None:
self.top.destroy()
self.top = None
self.updatechemicals()
def show_mainmenu(system):
"""Shows the main menu."""
root = CapSimWindow(master=None, buttons=None)
root.make_window(MainMenu(root, system))
root.mainloop()
option = root.window.option.get()
filename = root.window.filename.get()
root.destroy()
return option, filename
def deletechemicaldata(self, name):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
DatabaseDeleter(self.top, self.system,
self.chemicaldatas[name]))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicaldatas[name].get_chemicaldata(self.top.window)
if self.top.window.cancelflag == 2:
self.chemicaldatas[name].remove_chemicalwidgets()
del self.chemicaldatas[name]
if self.top is not None:
self.top.destroy()
self.top = None
self.updatechemicals()
def editmatrix(self, number):
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
if len(self.matrices[number - 1].components) < 2: self.top.make_window(MatrixEditor(self.top, self.system, self.matrices[number-1], self.matrices, self.materials, editflag = 1, newflag = 0))
else: self.top.make_window(MixtureEditor(self.top, self.system,self.matrices[number-1], self.matrices, self.materials, editflag = 1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.matrices[number-1].get_matrix(self.top.window)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.system.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatematrices()
def addlayer(self, default = None):
self.nlayers = self.nlayers + 1
layertemp = Layer(1)
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(LayerEditor(self.top, self.system, layertemp, self.layers, editflag = 0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
layertemp.get_layer(self.top.window)
if self.layers == []: self.layers.append(layertemp)
elif self.layers[0].number == 0: self.layers.insert( layertemp.number, layertemp)
elif layertemp.number == 0: self.layers.insert( 0, layertemp)
else: self.layers.insert( layertemp.number-1, layertemp)
if self.editflag == 1:
if self.layers[0].number == 0:
self.num_record.insert( layertemp.number, -1)
elif layertemp.number == 0:
self.num_record.insert( 0, -1)
else:
self.num_record.insert( layertemp.number-1, -1)
else:
self.nlayers = self.nlayers - 1
layertemp = 0
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.system.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatelayers()
def get_systemunits(system, step):
"""Get flow and system parameters."""
root = CapSimWindow(buttons=1)
root.make_window(UnitProperties(root, system))
root.mainloop()
if root.main.get() == 0 and root.step.get() == 1:
system.get_systemunits(root.window)
else:
system = None
root.destroy()
return system, step + root.step.get()
def solve_system(system):
"""Makes the GUI that shows the status of the simulation and runs the
simulation."""
root = CapSimWindow(buttons=2)
root.make_window(Solver(root, system))
root.mainloop()
output = root.window.output
main = root.main.get()
root.destroy()
return output, main
def importchemical(self):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
ChemicalImporter(self.top, self.system, self.database))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.updatechemical(self.top.window)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
def addreaction(self, event = None):
self.reactions.append(Reaction(len(self.reactions)+1))
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(ReactionEditor(self.top, self.system, self.reactions[-1], editflag = 0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0: self.reactions[-1].get_reaction(self.top.window)
else:
self.reactions.remove(self.reactions[-1])
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.system.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatereactions()
def editlayer(self, number):
if self.layers[0].number == 0: layertemp = self.layers[number]
else: layertemp = self.layers[number-1]
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(LayerEditor(self.top, self.system, layertemp, self.layers, editflag = 1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
layertemp.get_layer(self.top.window)
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(title = self.system.version, message = 'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatelayers()
def addchemicaldata(self, event=None):
new_name = 'chemical' + str(len(self.chemicals_list))
self.chemicaldatas[new_name] = ChemicalData(new_name)
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
DatabaseEditor(self.top,
self.system,
self.chemicaldatas[new_name],
self.chemicaldatas,
editflag=0,
tempflag=0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicaldatas[new_name].get_chemicaldata(self.top.window)
self.chemicaldatas[self.chemicaldatas[new_name].
name] = self.chemicaldatas[new_name].copy()
del self.chemicaldatas[new_name]
if self.top is not None:
self.top.destroy()
self.top = None
elif self.top is not None:
tkmb.showerror(
title=self.system.version,
message=
'Please close the existing parameter input window first.')
self.top.tk.focus()
self.updatechemicals()
