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_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 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_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 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 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 solve_batch(systems, type):
root = CapSimWindow(buttons=2)
root.make_window(BatchSolver(root, systems, type))
root.window.solve_system()
outputs = root.window.outputs
main = root.main.get()
root.destroy()
return outputs, main
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 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 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 get_reactionproperties(system, step):
"""Get some basic parameters for each layer."""
root = CapSimWindow(master = None, buttons = 1)
root.make_window(ReactionProperties(root, system))
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_reactionproperties(root.window)
for reaction in system.reactions: reaction.remove_propertieswidgets()
else:
system.reactions = None
root.destroy()
return system, step + root.step.get()
def get_chemicalproperties(system, database, step):
"""Get some basic parameters for each layer."""
root = CapSimWindow(master=None, buttons=1)
root.make_window(ChemicalProperties(root, system, database))
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_chemicalproperties(root.window)
for chemical in system.chemicals:
chemical.remove_chemicalwidgets()
else:
system.chemicals = None
system.nchemical = 0
root.destroy()
return system, step + root.step.get()
def get_layerproperties(system, step):
"""Get some basic parameters for each layer."""
root = CapSimWindow(master = None, buttons = 1)
root.make_window(LayerProperties(root, system))
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_layerproperties(root.window)
for layer in system.layers: layer.remove_propertywidgets()
else:
system.layers = None
system.nlayers = 0
system.dep = 0
system.Vdep = 0
root.destroy()
return system, step + root.step.get()
def get_matrixproperties(system, materials, step):
"""Get some basic parameters for each layer."""
root = CapSimWindow(master = None, buttons = 1)
root.make_window(MatrixProperties(root, system, materials))
root.mainloop()
if root.main.get() == 1: system = None
else:
if root.step.get() == 1:
system.get_matricesproperties(root.window)
for matrix in system.matrices: matrix.remove_propertieswidgets()
else:
system.matrices = None
system.nmatrices = 0
system.component_list = []
system.components = []
root.destroy()
return system, step + root.step.get()
class ChemicalProperties:
"""Gets the contaminant properties."""
def __init__(self, master, system, database):
"""Constructor method. Defines the parameters to be obtained in this window."""
self.master = master
self.fonttype = system.fonttype
self.version = system.version
self.superfont = get_superfont(self.fonttype) #superscript font
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.top = None #flag for existence of toplevel#
self.system = system
self.database = database
self.diffunit = system.diffunit
self.concunit = system.concunit
self.concunits = system.concunits
if system.chemicals is None:
self.chemicals = []
self.nchemicals = 0
else:
self.chemicals = system.chemicals
self.nchemicals = system.nchemicals
def make_widgets(self):
"""Make the widgets for the window."""
self.bgcolor = self.frame.cget('bg')
# Construct all label widgets used in the problem
self.instructions = Label(
self.tframe,
text=
' Please provide the following chemical properties: '
)
self.blankcolumn = Label(self.tframe, text='', width=1)
self.editcolumn = Label(self.tframe, text='', width=6)
self.delcolumn = Label(self.tframe, text='', width=6)
self.numbercolumn = Label(self.tframe, text='', width=6)
self.namecolumn = Label(self.tframe, text='', width=18)
self.MWcolumn = Label(self.tframe, text='', width=8)
self.tempcolumn = Label(self.tframe, text='', width=10)
self.Dwcolumn = Label(self.tframe, text='', width=16)
self.Koccolumn = Label(self.tframe, text='', width=16)
self.Kdoccolumn = Label(self.tframe, text='', width=18)
self.Refcolumn = Label(self.tframe, text='', width=17)
self.endcolumn = Label(self.tframe, text='', width=1)
self.botblankcolumn = Label(self.frame, text='', width=1)
self.boteditcolumn = Label(self.frame, text='', width=6)
self.botdelcolumn = Label(self.frame, text='', width=6)
self.botnumbercolumn = Label(self.frame, text='', width=6)
self.botnamecolumn = Label(self.frame, text='', width=18)
self.botMWcolumn = Label(self.frame, text='', width=8)
self.bottempcolumn = Label(self.frame, text='', width=10)
self.botDwcolumn = Label(self.frame, text='', width=16)
self.botKoccolumn = Label(self.frame, text='', width=16)
self.botKdoccolumn = Label(self.frame, text='', width=18)
self.botRefcolumn = Label(self.frame, text='', width=17)
self.botendcolumn = Label(self.frame, text='', width=1)
self.numberlabel = Label(self.tframe, text='Number')
self.namelabel = Label(self.tframe, text='Chemical name')
self.MWlabel = Label(self.tframe, text='Molecular\n Weight')
self.templabel = Label(self.tframe, text='Temperature')
self.Dwlabel = Label(self.tframe,
text='Molecular diffusivity\n in water')
self.Koclabel = Label(self.tframe,
text='Organic carbon\n partition coefficient')
self.Kdoclabel = Label(
self.tframe,
text='Dissolved organic carbon\n partition coefficient')
self.Reflabel = Label(self.tframe, text='Reference')
self.tempunits = Label(self.tframe, text=unichr(176) + 'C')
self.Dwunits = Label(self.tframe, text=self.diffunit)
self.Kocunits = Label(self.tframe, text='log(L/kg)')
self.Kdocunits = Label(self.tframe, text='log(L/kg)')
self.blank1 = Label(self.frame, text=' ')
self.blank2 = Label(self.bframe, text=' ')
self.addwidget = Button(self.bframe,
text='Add chemicals',
command=self.addchemical,
width=20)
#show the widgets on the grid
self.instructions.grid(row=0,
column=0,
columnspan=9,
padx=1,
sticky='W')
self.blankcolumn.grid(row=1, column=0, sticky='WE', padx=1, pady=1)
self.editcolumn.grid(row=1, column=1, sticky='WE', padx=1, pady=1)
self.delcolumn.grid(row=1, column=2, sticky='WE', padx=1, pady=1)
self.numbercolumn.grid(row=1, column=3, sticky='WE', padx=1, pady=1)
self.namecolumn.grid(row=1, column=4, sticky='WE', padx=1, pady=1)
self.MWcolumn.grid(row=1, column=5, sticky='WE', padx=1, pady=1)
self.tempcolumn.grid(row=1, column=6, sticky='WE', padx=1, pady=1)
self.Dwcolumn.grid(row=1, column=7, sticky='WE', padx=1, pady=1)
self.Koccolumn.grid(row=1, column=8, sticky='WE', padx=1, pady=1)
self.Kdoccolumn.grid(row=1, column=9, sticky='WE', padx=1, pady=1)
self.Refcolumn.grid(row=1, column=10, sticky='WE', padx=1, pady=1)
self.endcolumn.grid(row=1, column=11, sticky='WE', padx=1, pady=1)
self.numberlabel.grid(row=2, column=3, sticky='WE', padx=1, pady=1)
self.namelabel.grid(row=2, column=4, sticky='WE', padx=1, pady=1)
self.MWlabel.grid(row=2, column=5, sticky='WE', padx=1, pady=1)
self.templabel.grid(row=2, column=6, sticky='WE', padx=1, pady=1)
self.Dwlabel.grid(row=2, column=7, sticky='WE', padx=1, pady=1)
self.Koclabel.grid(row=2, column=8, sticky='WE', padx=1, pady=1)
self.Kdoclabel.grid(row=2, column=9, sticky='WE', padx=1, pady=1)
self.Reflabel.grid(row=2, column=10, sticky='WE', padx=1, pady=1)
self.tempunits.grid(row=3, column=6, sticky='WE', padx=1, pady=1)
self.Dwunits.grid(row=3, column=7, sticky='WE', padx=1, pady=1)
self.Kocunits.grid(row=3, column=8, sticky='WE', padx=1, pady=1)
self.Kdocunits.grid(row=3, column=9, sticky='WE', padx=1, pady=1)
self.updatechemicals()
def updatechemicals(self):
try:
self.botblankcolumn.grid_forget()
self.boteditcolumn.grid_forget()
self.botdelcolumn.grid_forget()
self.botnumbercolumn.grid_forget()
self.botnamecolumn.grid_forget()
self.botMWcolumn.grid_forget()
self.bottempcolumn.grid_forget()
self.botDwcolumn.grid_forget()
self.botKoccolumn.grid_forget()
self.botKdoccolumn.grid_forget()
self.botRefcolumn.grid_forget()
self.botendcolumn.grid_forget()
except:
pass
chemicals_list = self.database.keys()
for chemical in self.chemicals:
if chemical.soluable == 1:
try:
chemicals_list.remove(chemical.name)
except:
pass
self.addwidget.grid_forget()
namelabellength = 18
reflabellength = 18
row = 0
for chemical in self.chemicals:
try:
chemical.remove_chemicalwidgets()
except:
pass
chemical.number = self.chemicals.index(chemical) + 1
chemical.chemicalwidgets(self.frame, row, self.master)
row = row + 1
if namelabellength < chemical.namelabel.winfo_reqwidth() / 8:
namelabellength = int(
chemical.namelabel.winfo_reqwidth() / 8) + 1
if reflabellength < chemical.Reflabel.winfo_reqwidth(
) / 8 * 1.1424219345:
reflabellength = int(
chemical.Reflabel.winfo_reqwidth() / 8 * 1.1424219345) + 1
self.namecolumn.config(width=namelabellength)
self.Refcolumn.config(width=reflabellength)
self.botnamecolumn.config(width=namelabellength)
self.botRefcolumn.config(width=reflabellength)
self.botblankcolumn.grid(row=row,
column=0,
sticky='WE',
padx=1,
pady=1)
self.boteditcolumn.grid(row=row, column=1, sticky='WE', padx=1, pady=1)
self.botdelcolumn.grid(row=row, column=2, sticky='WE', padx=1, pady=1)
self.botnumbercolumn.grid(row=row,
column=3,
sticky='WE',
padx=1,
pady=1)
self.botnamecolumn.grid(row=row, column=4, sticky='WE', padx=1, pady=1)
self.botMWcolumn.grid(row=row, column=5, sticky='WE', padx=1, pady=1)
self.bottempcolumn.grid(row=row, column=6, sticky='WE', padx=1, pady=1)
self.botDwcolumn.grid(row=row, column=7, sticky='WE', padx=1, pady=1)
self.botKoccolumn.grid(row=row, column=8, sticky='WE', padx=1, pady=1)
self.botKdoccolumn.grid(row=row, column=9, sticky='WE', padx=1, pady=1)
self.botRefcolumn.grid(row=row, column=10, sticky='WE', padx=1, pady=1)
self.botendcolumn.grid(row=row, column=11, sticky='WE', padx=1, pady=1)
row = 0
self.blank2.grid(row=row)
row = row + 1
if len(chemicals_list) > 0:
self.addwidget.grid(row=row, columnspan=11)
row = row + 1
self.addwidget.bind('<Return>', self.addchemical)
if self.nchemicals == 0: self.focusbutton = self.addwidget
else: self.focusbutton = None
self.master.geometry()
self.master.center()
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 editchemical(self, number):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
ChemicalEditor(self.top,
self.system,
self.chemicals[number - 1],
self.chemicals,
self.database,
editflag=1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicals[number - 1].get_chemical(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 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 error_check(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
error = 0
if self.nchemicals == 0: error = 1
return error
def warning(self):
tkmb.showerror(
title=self.version,
message=
'No chemical has been selected, please add chemicals by pressing the button "Add chemicals"'
)
self.focusbutton = None
self.master.tk.lift()
class LayerConditions:
"""Gets the chemical properties for each layer."""
def __init__(self, master, system):
"""Constructor method. Makes the GUI using the list of "Layer" objects
"layers." """
self.master = master
self.version = system.version
self.fonttype = system.fonttype
self.superfont = get_superfont(self.fonttype)
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.bgcolor = self.frame.cget('bg')
self.top = None
self.chemicals = system.chemicals
self.layers = system.layers
self.sorptions = system.sorptions
self.matrices = system.matrices
self.dep = system.dep
self.CSTR_flag = 0
if system.dep == 'Deposition':
matrix = system.matrices[system.layers[0].type_index]
for chemical in self.chemicals:
for component in matrix.components:
if system.sorptions[component.name][
chemical.
name].isotherm == 'Freundlich' or system.sorptions[
component.name][
chemical.name].isotherm == 'Langmuir':
self.CSTR_flag = 1
elif system.sorptions[component.name][
chemical.name].kinetic == 'Transient':
self.CSTR_flag = 1
self.topBCtypes = [
'Fixed Concentration', 'Mass transfer', 'Finite mixed water column'
]
self.botBCtypes = [
'Fixed Concentration', 'Flux-matching', 'Zero Gradient'
]
if system.adv == 'Steady flow' or system.adv == 'Tidal oscillation':
self.U = system.Vdar
else:
self.U = 0
self.concunit = system.concunit
self.lengthunit = system.lengthunit
self.timeunit = system.timeunit
try:
self.bltype = system.bltype
self.blcoefs = system.blcoefs
except:
self.bltype = 'River'
self.blcoefs = {}
self.blcoefs['vx'] = 1.
self.blcoefs['n'] = 0.02
self.blcoefs['hriver'] = 5.
self.blcoefs['rh'] = 5.
self.blcoefs['nu'] = 1e-6
self.blcoefs['rhoair'] = 1.
self.blcoefs['rhowater'] = 1000.
self.blcoefs['vwind'] = 5.
self.blcoefs['hlake'] = 10.
self.blcoefs['llake'] = 1000.
try:
self.taucoefs = system.taucoefs
except:
self.taucoefs = {}
self.taucoefs['Q'] = 1.
self.taucoefs['V'] = 100.
self.taucoefs['h'] = 1.
self.taucoefs['DOC'] = 0.
self.taucoefs['Qevap'] = 0.
self.taucoefs['Decay'] = 'None'
self.taucoefs['Evap'] = 'None'
if system.ICs == None:
self.ICs = {}
for layer in system.layers:
self.ICs[layer.name] = {}
for chemical in self.chemicals:
self.ICs[layer.name][chemical.name] = IC(
layer.name, chemical.name)
else:
self.ICs = system.ICs
if system.BCs == None:
self.BCs = {}
self.topBCtype = StringVar(value=self.topBCtypes[0])
self.botBCtype = StringVar(value=self.topBCtypes[0])
for chemical in self.chemicals:
self.BCs[chemical.name] = BC(chemical.name, chemical.soluable)
else:
self.BCs = system.BCs
self.topBCtype = StringVar(value=system.topBCtype)
self.botBCtype = StringVar(value=system.botBCtype)
self.lengthunits = system.lengthunits
self.concunits = system.concunits
self.timeunits = system.timeunits
self.diffunits = system.diffunits
self.lengthunit = system.lengthunit
self.concunit = system.concunit
self.timeunit = system.timeunit
self.diffunit = system.diffunit
self.diff_factor = 1.
self.k_factor = 1.
self.flux_factor = 0.001
if self.lengthunit == self.lengthunits[0]:
self.diff_factor = self.diff_factor * (10000**2)
self.k_factor = self.k_factor * 10000
self.flux_factor = self.flux_factor / (10000**2)
elif self.lengthunit == self.lengthunits[2]:
self.diff_factor = self.diff_factor / (100**2)
self.k_factor = self.k_factor / 100
self.flux_factor = self.flux_factor * (100**2)
if self.diffunit == system.diffunits[0]:
if self.timeunit == self.timeunits[1]:
self.diff_factor = self.diff_factor * 60
elif self.timeunit == self.timeunits[2]:
self.diff_factor = self.diff_factor * 60 * 60
elif self.timeunit == self.timeunits[3]:
self.diff_factor = self.diff_factor * 60 * 60 * 24
elif self.timeunit == self.timeunits[4]:
self.diff_factor = self.diff_factor * 60 * 60 * 24 * 365.25
else:
if self.timeunit == self.timeunits[0]:
self.diff_factor = self.diff_factor / 365.25 / 24 / 60 / 60
elif self.timeunit == self.timeunits[1]:
self.diff_factor = self.diff_factor / 365.25 / 24 / 60
elif self.timeunit == self.timeunits[2]:
self.diff_factor = self.diff_factor / 365.25 / 24
elif self.timeunit == self.timeunits[3]:
self.diff_factor = self.diff_factor / 365.25
def make_widgets(self):
"""Makes the widgets for the GUI."""
self.instructions = Label(
self.frame,
text=
'Please input the boundary conditions and initial concentration profiles: '
)
self.blank1 = Label(self.frame, text='')
self.blank2 = Label(self.frame, text='')
self.blankcolumn = Label(self.frame, width=2, text=' ')
self.layercolumn = Label(self.frame, width=10, text=' ')
self.typecolumn = Label(self.frame, width=24, text=' ')
self.paracolumn = Label(self.frame, width=20, text=' ')
self.unitcolumn = Label(self.frame, width=8, text=' ')
self.endcolumn = Label(self.frame, width=4, text=' ')
self.layerlabel = Label(self.frame, width=6, text=' ')
self.typelabel = Label(self.frame, width=6, text='Type')
self.paralabel = Label(self.frame, width=6, text='Parameter')
self.unitlabel = Label(self.frame, width=6, text='Unit')
self.blank1 = Label(self.frame, text=' ')
self.blank2 = Label(self.frame, text=' ')
self.blank3 = Label(self.frame, text=' ')
self.blank4 = Label(self.frame, text=' ')
#show the widgets on the grid
self.instructions.grid(row=0,
column=0,
padx=8,
columnspan=6,
sticky='W')
self.blankcolumn.grid(row=1, column=0, sticky='WE', padx=1, pady=1)
self.layercolumn.grid(row=1, column=1, sticky='WE', padx=1, pady=1)
self.typecolumn.grid(row=1, column=2, sticky='WE', padx=1, pady=1)
self.paracolumn.grid(row=1, column=3, sticky='WE', padx=1, pady=1)
self.unitcolumn.grid(row=1, column=4, sticky='WE', padx=1, pady=1)
self.layerlabel.grid(row=2, column=1, padx=4, sticky='WE')
self.typelabel.grid(row=2, column=2, padx=4, sticky='WE')
self.paralabel.grid(row=2, column=3, padx=4, sticky='WE')
self.unitlabel.grid(row=2, column=4, padx=4, sticky='WE')
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
chemical.ICwidgets(self.frame, column)
column = column + 1
self.endcolumn.grid(row=2, column=column, sticky='WE', padx=1, pady=1)
self.updateconditions(event=1)
self.focusbutton = None
def updateBCs(self, event=None):
self.updateconditions()
def updateconditions(self, event=None, *args):
try:
self.topBClabel.grid_forget()
self.topBCtwidget.grid_forget()
self.botBClabel.grid_forget()
self.botBCtwidget.grid_forget()
self.blank3.grid_forget()
self.blank4.grid_forget()
except:
pass
try:
self.Colabel.grid_forget()
self.Counitlabel.grid_forget()
except:
pass
try:
self.klabel.grid_forget()
self.kunitlabel.grid_forget()
except:
pass
try:
self.Cwlabel.grid_forget()
self.Cwunitlabel.grid_forget()
except:
pass
try:
self.taulabel.grid_forget()
self.tauunitlabel.grid_forget()
except:
pass
try:
self.Cblabel.grid_forget()
self.Cbunitlabel.grid_forget()
except:
pass
for chemical in self.chemicals:
try:
self.BCs[chemical.name].remove_widgets()
except:
pass
for chemical in self.chemicals:
self.BCs[chemical.name].topBCtype = self.topBCtype.get()
self.BCs[chemical.name].botBCtype = self.botBCtype.get()
row = 4
self.topblankrow_1 = Label(self.frame, width=1, text='')
self.topblankrow_2 = Label(self.frame, width=1, text='')
self.topblankrow_1.grid(row=4,
column=0,
padx=4,
sticky='WE',
pady=4,
columnspan=1)
self.topblankrow_2.grid(row=5,
column=0,
padx=4,
sticky='WE',
pady=4,
columnspan=1)
self.topBClabel = Label(self.frame, width=10, text='Benthic')
self.topBCtwidget = OptionMenu(self.frame,
self.topBCtype,
*self.topBCtypes,
command=self.updateBCs)
self.topBClabel.grid(row=row,
column=1,
sticky='WE',
padx=1,
pady=1,
rowspan=2)
self.topBCtwidget.grid(row=row,
column=2,
sticky='WE',
padx=1,
pady=1,
rowspan=2)
if self.topBCtype.get() == self.topBCtypes[0]:
self.Colabel = Label(self.frame,
width=15,
text='Surface concentration')
self.Counitlabel = Label(self.frame, width=5, text=self.concunit)
self.Colabel.grid(row=row,
column=3,
sticky='WE',
padx=1,
pady=1,
rowspan=2)
self.Counitlabel.grid(row=row,
column=4,
sticky='WE',
padx=1,
pady=1,
rowspan=2)
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
self.BCs[chemical.name].topboundarywidget(
self.frame, row, column)
self.BCs[chemical.name].Co.trace('w', self.updateICs)
column = column + 1
row = row + 2
if self.topBCtype.get() == self.topBCtypes[1]:
self.klabel = Button(self.frame,
width=15,
text='Mass transfer coefficient',
command=self.click_kbl)
self.kunitlabel = Label(
self.frame, width=5,
text='cm/hr') #self.lengthunit + '/'+ self.timeunit)
self.Cwlabel = Label(self.frame,
width=15,
text='Water concentration')
self.Cwunitlabel = Label(self.frame, width=5, text=self.concunit)
self.klabel.grid(row=row, column=3, sticky='WE', padx=1, pady=1)
self.kunitlabel.grid(row=row,
column=4,
sticky='WE',
padx=1,
pady=1)
self.Cwlabel.grid(row=row + 1,
column=3,
sticky='WE',
padx=1,
pady=1)
self.Cwunitlabel.grid(row=row + 1,
column=4,
sticky='WE',
padx=1,
pady=1)
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
self.BCs[chemical.name].topboundarywidget(
self.frame, row, column)
self.BCs[chemical.name].Cw.trace('w', self.updateICs)
column = column + 1
row = row + 2
if self.topBCtype.get() == self.topBCtypes[2]:
if self.CSTR_flag == 0:
self.klabel = Button(self.frame,
width=15,
text='Mass transfer coefficient',
command=self.click_kbl)
self.kunitlabel = Label(self.frame, width=5, text='cm/hr')
self.taulabel = Button(self.frame,
width=15,
text='Water body retention time',
command=self.click_tau)
self.tauunitlabel = Label(self.frame,
width=5,
text=self.timeunit)
self.klabel.grid(row=row,
column=3,
sticky='WE',
padx=1,
pady=0)
self.kunitlabel.grid(row=row,
column=4,
sticky='WE',
padx=1,
pady=1)
self.taulabel.grid(row=row + 1,
column=3,
sticky='WE',
padx=1,
pady=0)
self.tauunitlabel.grid(row=row + 1,
column=4,
sticky='WE',
padx=1,
pady=1)
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
self.BCs[chemical.name].topboundarywidget(
self.frame, row, column)
column = column + 1
row = row + 2
else:
tkmb.showerror(
title='Model Error',
message=
'The water body CSTR model is not applicable for systems with deposition layer governing by non-linear equilibrium isotherm or transient sorption kinetics'
)
self.topBCtype.set(self.topBCtypes[1])
self.klabel = Button(self.frame,
width=15,
text='Mass transfer coefficient',
command=self.click_kbl)
self.kunitlabel = Label(self.frame, width=5, text='cm/hr')
self.Cwlabel = Label(self.frame,
width=15,
text='Water concentration')
self.Cwunitlabel = Label(self.frame,
width=5,
text=self.concunit)
self.klabel.grid(row=row,
column=3,
sticky='WE',
padx=1,
pady=1)
self.kunitlabel.grid(row=row,
column=4,
sticky='WE',
padx=1,
pady=1)
self.Cwlabel.grid(row=row + 1,
column=3,
sticky='WE',
padx=1,
pady=1)
self.Cwunitlabel.grid(row=row + 1,
column=4,
sticky='WE',
padx=1,
pady=1)
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
self.BCs[chemical.name].topboundarywidget(
self.frame, row, column)
column = column + 1
row = row + 2
if self.layers[0].name != 'Deposition':
self.blank3.grid(row=row)
row = row + 1
for layer in self.layers:
row = row + 2
self.updateICs()
self.blank4.grid(row=row)
row = row + 1
self.botBClabel = Label(self.frame, width=10, text='Underlying')
self.botBCtwidget = OptionMenu(self.frame,
self.botBCtype,
*self.botBCtypes,
command=self.updateBCs)
self.botBClabel.grid(row=row, column=1, sticky='WE', padx=1, pady=1)
self.botBCtwidget.grid(row=row, column=2, sticky='WE', padx=1, pady=1)
#print(self.botBCtype.get())
if self.botBCtype.get() == self.botBCtypes[0] or self.botBCtype.get(
) == self.botBCtypes[1]:
self.Cblabel = Label(self.frame, width=15, text='Concentration')
self.Cbunitlabel = Label(self.frame, width=5, text=self.concunit)
self.Cblabel.grid(row=row, column=3, sticky='WE', padx=1, pady=1)
self.Cbunitlabel.grid(row=row,
column=4,
sticky='WE',
padx=1,
pady=1)
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
self.BCs[chemical.name].botboundarywidget(
self.frame, row, column)
column = column + 1
row = row + 1
else:
row = row + 1
self.blank1.grid(row=row)
self.focusbutton = None
self.frame.update()
self.master.geometry()
self.master.center()
def updateICs(self, event=None, *args):
for layer in self.layers:
try:
layer.remove_ICwidgets()
except:
pass
for chemical in self.chemicals:
try:
self.ICs[layer.name][chemical.name].remove_widgets()
except:
pass
if self.layers[0].name != 'Deposition':
row = 7
else:
row = 6
for layer in self.layers:
layer.ICwidgets(self.frame, row, self.master, self.concunit)
column = 5
for chemical in self.chemicals:
if chemical.soluable == 1:
self.ICs[layer.name][chemical.name].propertieswidgets(
self.frame, row, column, layer.ICtype.get(),
layer.name)
column = column + 1
row = row + 2
if self.layers[0].name == 'Deposition':
for chemical in self.chemicals:
if chemical.soluable == 1:
if self.topBCtype.get() == self.topBCtypes[0]:
self.ICs[self.layers[0].name][
chemical.name].uniform.set(
self.BCs[chemical.name].Co.get())
elif self.topBCtype.get() == self.topBCtypes[1]:
self.ICs[self.layers[0].name][
chemical.name].uniform.set(
self.BCs[chemical.name].Cw.get())
elif self.topBCtype.get() == self.topBCtypes[2]:
self.ICs[self.layers[0].name][
chemical.name].uniform.set('Cw')
def click_kbl(self, event=None):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
KblEstimator(self.top, self.version, self.fonttype,
self.bltype, self.blcoefs))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.bltype = self.top.window.bltype.get()
if self.top.window.bltype.get() == 'River':
self.blcoefs['vx'] = self.top.window.vx.get()
self.blcoefs['n'] = self.top.window.n.get()
self.blcoefs['hriver'] = self.top.window.hriver.get()
self.blcoefs['rh'] = self.top.window.rh.get()
self.blcoefs['nu'] = self.top.window.nu.get()
for chemical in self.chemicals:
if chemical.soluable == 1:
try:
self.BCs[chemical.name].k.set(
round_to_n(
kblriver(
self.blcoefs['vx'],
self.blcoefs['n'],
self.blcoefs['hriver'],
self.blcoefs['rh'],
self.blcoefs['nu'], chemical.Dw /
86400 / 365 * self.diff_factor),
3))
except:
tkmb.showerror(
title='Math Error',
message=
'The parameters you have entered produce a math error. Please change the parameters and recalculate.'
)
else:
self.blcoefs['rhoair'] = self.top.window.rhoair.get()
self.blcoefs['rhowater'] = self.top.window.rhowater.get()
self.blcoefs['vwind'] = self.top.window.vwind.get()
self.blcoefs['hlake'] = self.top.window.hlake.get()
self.blcoefs['llake'] = self.top.window.llake.get()
for chemical in self.chemicals:
if chemical.soluable == 1:
try:
self.BCs[chemical.name].k.set(
round_to_n(
kbllake(self.blcoefs['rhoair'],
self.blcoefs['rhowater'],
self.blcoefs['vwind'],
self.blcoefs['hlake'],
chemical.MW,
self.blcoefs['llake']), 3))
except:
tkmb.showerror(
title='Math Error',
message=
'The parameters you have entered produce a math error. Please change the parameters and recalculate.'
)
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()
self.updateconditions()
def click_tau(self, event=None):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
TauEstimator(self.top, self.version, self.fonttype,
self.timeunit, self.lengthunit, self.chemicals,
self.taucoefs, self.BCs))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.taucoefs['Q'] = self.top.window.Q.get()
self.taucoefs['V'] = self.top.window.V.get()
self.taucoefs['h'] = self.top.window.h.get()
self.taucoefs['Qevap'] = self.top.window.Qevap.get()
self.taucoefs['DOC'] = self.top.window.doc.get()
self.taucoefs['Decay'] = self.top.window.Decay.get()
self.taucoefs['Evap'] = self.top.window.Evap.get()
Q = self.taucoefs['Q'] - self.taucoefs[
'Qevap'] + self.taucoefs['V'] / self.taucoefs['h'] * self.U
if self.dep == 'Deposition':
if self.lengthunit == 'cm': kdep = self.layers[0].h / 100
elif self.lengthunit == u'\u03BCm':
kdep = self.layers[0].h / 100 / 1000
else:
kdep = self.layers[0].h
matrix = self.matrices[self.layers[0].type_index]
epsilon = self.matrices[self.layers[0].type_index].e
dep_rho = matrix.rho
dep_fraction = []
for component in matrix.components:
dep_fraction.append(component.mfraction)
else:
kdep = 0
epsilon = 0
dep_rho = 0
dep_fraction = []
for n in range(len(self.chemicals)):
chemical = self.chemicals[n]
self.BCs[chemical.name].kdecay = self.top.window.kdecays[n]
self.BCs[chemical.name].kevap = self.top.window.kevaps[n]
if self.taucoefs['Evap'] == 'None': kevap = 0
else: kevap = self.top.window.kevaps[n]
if self.taucoefs['Decay'] == 'None': kdecay = 0
else: kdecay = self.top.window.kdecays[n]
K = []
if self.dep == 'Deposition':
matrix = self.matrices[self.layers[0].type_index]
for component in matrix.components:
if self.sorptions[component.name][
chemical.
name].isotherm == 'Linear--Kd specified':
K.append(self.sorptions[component.name][
chemical.name].K)
elif self.sorptions[component.name][
chemical.
name].isotherm == 'Linear--Kocfoc':
K.append(10**self.sorptions[component.name][
chemical.name].Koc)
try:
self.BCs[chemical.name].tau.set(
round_to_n(
tauwater(Q, self.taucoefs['DOC'],
chemical.Kdoc, kdep, epsilon, dep_rho,
dep_fraction, K, self.taucoefs['V'],
self.taucoefs['h'], kevap, kdecay),
3))
except:
tkmb.showerror(
title='Math Error',
message=
'The parameters you have entered produce a math error. Please change the parameters and recalculate.'
)
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()
self.updateconditions()
def error_check(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
error = 0
if self.topBCtype.get() == 'Finite mixed water column':
for chemical in self.chemicals:
if self.BCs[chemical.name].tau.get() <= 0:
error = 1
return error
def warning(self):
tkmb.showerror(title=self.version,
message='The retention time must be positive values')
self.focusbutton = None
self.master.tk.lift()
class ReactionEditor:
"""Gets the chemical reaction information for each layer."""
def __init__(self, master, system, reaction, editflag):
"""Constructor method. Makes the GUI using the list of "Layer" objects
"layers." """
# Read the Tkinter information
self.master = master
self.fonttype = system.fonttype
self.formulatype = system.formulatype
self.version = system.version
self.superfont = get_superfont(self.fonttype)
self.subfont = get_superfont(self.formulatype)
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.bgcolor = self.frame.cget('bg')
self.top = None
self.system = system
# Read the system information
self.chemicals = system.chemicals
self.reaction = reaction
self.editflag = editflag
# Define the reaction chemical information
self.chemical_list = [chemical.name for chemical in self.chemicals]
self.formula_list = [chemical.formula for chemical in self.chemicals]
self.MW_list = [chemical.MW for chemical in self.chemicals]
self.models = ['Fundamental', 'User-defined']
self.name = StringVar(value='Reaction ' + str(reaction.number))
self.model = StringVar(value=self.models[0])
self.reactants = []
self.products = []
#self.stoichcoef = reaction.stoichcoef
if editflag == 1:
self.name = StringVar(value=reaction.name)
self.model = StringVar(value=reaction.model)
self.reactants = [
reactant.copy() for reactant in reaction.reactants
]
self.products = [product.copy() for product in reaction.products]
for reactant in self.reactants:
reactant.coef = DoubleVar(value=reactant.coef)
reactant.index = DoubleVar(value=reactant.index)
reactant.name = StringVar(value=reactant.name)
reactant.formula = StringVar(value=reactant.formula)
reactant.MW = DoubleVar(value=reactant.MW)
for product in self.products:
product.coef = DoubleVar(value=product.coef)
product.name = StringVar(value=product.name)
product.formula = StringVar(value=product.formula)
product.MW = DoubleVar(value=product.MW)
self.cancelflag = 0
def make_widgets(self):
self.instructions = Label(
self.frame,
text=
'Please input the following information for the added kinetic process: '
)
self.reactblankcolumn = Label(self.frame, text=' ', width=2)
self.reactdelcolumn = Label(self.frame, text=' ', width=6)
self.reactcoefcolumn = Label(self.frame, text=' ', width=6)
self.reactnamecolumn = Label(self.frame, text=' ', width=20)
self.reactformcolumn = Label(self.frame, text=' ', width=10)
self.middlecolumn = Label(self.frame, text=' ', width=14)
self.proddelcolumn = Label(self.frame, text=' ', width=6)
self.prodcoefcolumn = Label(self.frame, text=' ', width=6)
self.prodnamecolumn = Label(self.frame, text=' ', width=20)
self.prodformcolumn = Label(self.frame, text=' ', width=10)
self.prodblankcolumn = Label(self.frame, text=' ', width=2)
self.nameblank = Label(self.frame, text=' ', width=10)
self.namelabel = Label(self.frame, text='Name:', width=10)
self.namewidget = Entry(self.frame, textvariable=self.name, width=15)
self.modellabel = Label(self.frame, text='Kinetic model:', width=10)
self.modelwidget = OptionMenu(self.frame,
self.model,
*self.models,
command=self.click_model)
self.ratelabel = Label(self.frame, text='Rate equation:', width=10)
self.reactlabel = Label(self.frame, text='Reactants')
self.prodlabel = Label(self.frame, text='Products')
self.reactcoeflabel = Label(self.frame,
text='Stoichiometric\ncoefficient')
self.reactnamelabel = Label(self.frame, text='Chemical')
self.reactformlabel = Label(self.frame, text='Formula')
self.prodcoeflabel = Label(self.frame,
text='Stoichiometric\ncoefficient')
self.prodnamelabel = Label(self.frame, text='Chemical')
self.prodformlabel = Label(self.frame, text='Formula')
self.addreactwidget = Button(self.frame,
text='Add reactant',
width=20,
command=self.addreactant)
self.addprodwidget = Button(self.frame,
text='Add product',
width=20,
command=self.addproduct)
self.okbutton = Button(self.frame,
text='OK',
width=20,
command=self.OK)
self.cancelbutton = Button(self.frame,
text='Cancel',
width=20,
command=self.Cancel)
self.blank1 = Label(self.frame, text=' ')
self.blank2 = Label(self.frame, text=' ')
self.instructions.grid(row=0,
column=0,
padx=8,
sticky='W',
columnspan=11)
self.nameblank.grid(row=1, column=0, padx=2, sticky='WE', columnspan=4)
self.namelabel.grid(row=2, column=0, padx=2, sticky='E', columnspan=3)
self.namewidget.grid(row=2, column=3, padx=2, sticky='W')
self.modellabel.grid(row=2, column=4, padx=2, sticky='E')
self.modelwidget.grid(row=2,
column=5,
padx=2,
sticky='W',
columnspan=2)
self.ratelabel.grid(row=2, column=7, padx=2, sticky='E')
self.reactblankcolumn.grid(row=3, column=0, padx=2, sticky='WE')
self.reactdelcolumn.grid(row=3, column=1, padx=2, sticky='WE')
self.reactcoefcolumn.grid(row=3, column=2, padx=2, sticky='WE')
self.reactnamecolumn.grid(row=3, column=3, padx=2, sticky='WE')
self.reactformcolumn.grid(row=3, column=4, padx=2, sticky='WE')
self.middlecolumn.grid(row=3, column=5, padx=2, sticky='WE')
self.proddelcolumn.grid(row=3, column=6, padx=2, sticky='WE')
self.prodcoefcolumn.grid(row=3, column=7, padx=2, sticky='WE')
self.prodnamecolumn.grid(row=3, column=8, padx=2, sticky='WE')
self.prodformcolumn.grid(row=3, column=9, padx=2, sticky='WE')
self.prodblankcolumn.grid(row=3, column=10, padx=2, sticky='WE')
self.reactlabel.grid(row=4,
column=2,
padx=2,
sticky='WE',
columnspan=3)
self.prodlabel.grid(row=4, column=7, padx=2, sticky='WE', columnspan=3)
self.reactcoeflabel.grid(row=5, column=2, padx=2, sticky='WE')
self.reactnamelabel.grid(row=5, column=3, padx=2, sticky='WE')
self.reactformlabel.grid(row=5, column=4, padx=2, sticky='WE')
self.prodcoeflabel.grid(row=5, column=7, padx=2, sticky='WE')
self.prodnamelabel.grid(row=5, column=8, padx=2, sticky='WE')
self.prodformlabel.grid(row=5, column=9, padx=2, sticky='WE')
self.updatereaction()
# Build a frame for Reaction rate
self.focusbutton = None
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 updaterateequation(self):
try:
self.ratewidget.grid_forget()
except:
pass
font = tkFont.Font(font=self.formulatype)
subfont = tkFont.Font(font=self.subfont)
superfont = tkFont.Font(font=self.superfont)
if self.model.get() == 'Fundamental':
rate_len = font.measure(u'r = \u03BB')
for reactant in self.reactants:
rate_len = rate_len + font.measure('C')
rate_len = rate_len + subfont.measure(reactant.formula.get())
if reactant.coef.get() == int(reactant.coef.get()):
coef = int(reactant.coef.get())
else:
coef = reactant.coef.get()
if coef <> 1.:
rate_len = rate_len + superfont.measure(str(coef) + ' ')
self.ratewidget = Text(self.frame,
width=int(rate_len * 1.1424219345 / 8) + 1,
height=1,
font=self.formulatype)
self.ratewidget.insert('end', u'r = \u03BB')
for reactant in self.reactants:
self.ratewidget.insert('end', 'C')
self.ratewidget.insert('end', reactant.formula.get(), 'sub')
if reactant.coef.get() == int(reactant.coef.get()):
coef = int(reactant.coef.get())
else:
coef = reactant.coef.get()
if coef <> 1.:
self.ratewidget.insert('end', str(coef) + ' ', 'super')
if self.model.get() == 'User-defined':
rate_len = font.measure(u'r = \u03BB')
for reactant in self.reactants:
if reactant.index.get() <> 0:
rate_len = rate_len + font.measure('C')
rate_len = rate_len + subfont.measure(
reactant.formula.get())
if reactant.index.get() == int(reactant.index.get()):
index = int(reactant.index.get())
else:
index = reactant.index.get()
if index <> 1.:
rate_len = rate_len + superfont.measure(
str(index) + ' ')
self.ratewidget = Text(self.frame,
width=int(rate_len * 1.1424219345 / 8) + 1,
height=1,
font=self.formulatype)
self.ratewidget.insert('end', u'r = \u03BB')
for reactant in self.reactants:
if reactant.index.get() <> 0:
self.ratewidget.insert('end', 'C')
self.ratewidget.insert('end', reactant.formula.get(),
'sub')
if reactant.index.get() == int(reactant.index.get()):
index = int(reactant.index.get())
else:
index = reactant.index.get()
if index <> 1.:
self.ratewidget.insert('end',
str(index) + ' ', 'super')
self.ratewidget.tag_config('sub', offset=-4, font=self.subfont)
self.ratewidget.tag_config('super', offset=5, font=self.superfont)
self.ratewidget.tag_config('right', justify='right')
self.ratewidget.config(state='disabled',
background=self.bgcolor,
borderwidth=0,
spacing3=3)
self.ratewidget.grid(row=2, column=8, padx=2, sticky='W', columnspan=3)
def updatereaction(self):
try:
self.addreactwidget.grid_forget()
self.addprodwidget.grid_forget()
self.okbutton.grid_forget()
self.cancelbutton.grid_forget()
except:
pass
self.updaterateequation()
row = 6
for reactant in self.reactants:
try:
reactant.remove_propertieswidgets()
except:
pass
reactant.propertieswidgets(self.frame, row, self.master,
self.chemical_list, self.formula_list,
self.MW_list)
row = row + 1
row_reactant = row
row = 6
for product in self.products:
try:
product.remove_propertieswidgets()
except:
pass
product.propertieswidgets(self.frame, row, self.master,
self.chemical_list, self.formula_list,
self.MW_list)
row = row + 1
if row < row_reactant: row = row_reactant
self.blank1.grid(row=row)
row = row + 1
self.addreactwidget.grid(row=row, columnspan=11)
row = row + 1
self.addprodwidget.grid(row=row, columnspan=11)
row = row + 1
self.okbutton.grid(row=row, columnspan=11)
row = row + 1
self.cancelbutton.grid(row=row, columnspan=11)
row = row + 1
self.blank2.grid(row=row)
self.okbutton.bind('<Return>', self.OK)
self.focusbutton = self.okbutton
self.master.geometry()
def addreactant(self):
self.reactants.append(Reactant(len(self.reactants) + 1))
self.reactants[-1].coef = DoubleVar(value=1)
self.reactants[-1].name = StringVar(value=self.chemical_list[0])
self.reactants[-1].formula = StringVar(value=self.formula_list[0])
self.reactants[-1].index = DoubleVar(value=1)
self.reactants[-1].MW = DoubleVar(value=self.MW_list[0])
self.updatereaction()
def addproduct(self):
self.products.append(Product(len(self.products) + 1))
self.products[-1].coef = DoubleVar(value=1)
self.products[-1].name = StringVar(value=self.chemical_list[0])
self.products[-1].formula = StringVar(value=self.formula_list[0])
self.products[-1].MW = StringVar(value=self.MW_list[0])
self.updatereaction()
def delreactant(self, number):
self.reactants[number - 1].remove_propertieswidgets()
self.reactants.remove(self.reactants[number - 1])
self.updatereaction()
def delproduct(self, number):
self.products[number - 1].remove_propertieswidgets()
self.products.remove(self.products[number - 1])
self.updatereaction()
def OK(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
if self.model.get() == 'Fundamental':
for reactant in self.reactants:
reactant.index.set(reactant.coef.get())
check = 0
chemicals = []
for reactant in self.reactants:
chemicals.append(reactant.name.get())
for product in self.products:
chemicals.append(product.name.get())
for chemical in chemicals:
if chemicals.count(chemical) > 1:
check = 1
if self.master.window.top is not None: self.master.open_toplevel()
elif check == 1: self.reaction_error()
else:
for reactant in self.reactants:
reactant.get_reactant()
reactant.remove_propertieswidgets()
for product in self.products:
product.get_product()
product.remove_propertieswidgets()
if (len(self.reactants) + len(self.products)) == 0:
self.cancelflag = 1
self.master.tk.quit()
def reaction_error(self):
tkmb.showerror(
title=self.version,
message='At least one chemical has been replicated in the reaction!'
)
self.focusbutton = self.okbutton
self.master.tk.lift()
def Cancel(self):
try:
self.reactants = self.reaction.reactants
self.products = self.reaction.products
except:
self.cancelflag = 1
if self.master.window.top is not None: self.master.open_toplevel()
else: self.master.tk.quit()
class Database:
"""Opens a window for inputing the properties of a compound."""
def __init__(self, master, system, database):
"""The constructor method."""
self.version = system.version
self.fonttype = system.fonttype
self.sfont = get_superfont(self.fonttype)
self.master = master
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.top = None
self.system = system
self.database = database #the chemical database
self.chemicals_list = self.database.keys()
self.chemicals_list.sort()
self.chemicaldatas = {}
for name in self.chemicals_list:
self.chemicaldatas[name] = ChemicalData(name)
self.chemicaldatas[name].read_database(self.database[name])
def make_widgets(self):
self.insruction = Label(
self.tframe,
text=
'Please provide the following fundamental properties for the chemicals:\n'
)
self.blankcolumn = Label(self.tframe, text=' ', width=1)
self.editcolumn = Label(self.tframe, text=' ', width=6)
self.delcolumn = Label(self.tframe, text=' ', width=6)
self.namecolumn = Label(self.tframe, text=' ', width=18)
self.formcolumn = Label(self.tframe, text=' ', width=10)
self.tempcolumn = Label(self.tframe, text=' ', width=10)
self.Dwcolumn = Label(self.tframe, text=' ', width=18)
self.Koccolumn = Label(self.tframe, text=' ', width=18)
self.Kdoccolumn = Label(self.tframe, text=' ', width=18)
self.Refcolumn = Label(self.tframe, text=' ', width=18)
self.endcolumn = Label(self.tframe, text=' ', width=2)
self.namelabel = Label(self.tframe, text='Chemical name')
self.formlabel = Label(self.tframe, text='Formula')
self.templabel = Label(self.tframe, text='Temperature')
self.Dwlabel = Label(self.tframe,
text='Molecular diffusivity\n in water')
self.Koclabel = Label(self.tframe,
text='Organic carbon\n partition coefficient')
self.Kdoclabel = Label(
self.tframe,
text='Dissolved organic carbon\n partition coefficient')
self.Reflabel = Label(self.tframe, text='Reference')
self.tempunits = Label(self.tframe, text=unichr(176) + 'C')
self.Dwunits = Label(self.tframe, text=u'cm\u00B2/s')
self.Kocunits = Label(self.tframe, text='log(L/kg)')
self.Kdocunits = Label(self.tframe, text='log(L/kg)')
self.addwidget = Button(self.bframe,
text='Add new chemicals',
command=self.addchemicaldata,
width=20)
self.tempwidget = Button(self.bframe,
text='Add new temperatures',
command=self.addtempdata,
width=20)
self.importwidget = Button(self.bframe,
text='Import database file',
command=self.importchemicaldata,
width=20)
self.savebutton = Button(self.bframe,
text='Save',
command=self.OK,
width=20)
self.cancelbutton = Button(self.bframe,
text='Cancel',
command=self.cancel,
width=20)
self.botblankcolumn = Label(self.frame, text=' ', width=1)
self.boteditcolumn = Label(self.frame, text=' ', width=6)
self.botdelcolumn = Label(self.frame, text=' ', width=6)
self.botnamecolumn = Label(self.frame, text=' ', width=18)
self.botformcolumn = Label(self.frame, text=' ', width=10)
self.bottempcolumn = Label(self.frame, text=' ', width=10)
self.botDwcolumn = Label(self.frame, text=' ', width=18)
self.botKoccolumn = Label(self.frame, text=' ', width=18)
self.botKdoccolumn = Label(self.frame, text=' ', width=18)
self.botRefcolumn = Label(self.frame, text=' ', width=18)
self.botendcolumn = Label(self.frame, text=' ', width=2)
self.blank1 = Label(self.bframe, text=' ')
self.blank2 = Label(self.bframe, text=' ')
self.blank3 = Label(self.bframe, text=' ')
self.insruction.grid(row=0,
column=0,
sticky='W',
padx=1,
pady=1,
columnspan=11)
self.blankcolumn.grid(row=1, column=0, sticky='WE', padx=1, pady=1)
self.editcolumn.grid(row=1, column=1, sticky='WE', padx=1, pady=1)
self.delcolumn.grid(row=1, column=2, sticky='WE', padx=1, pady=1)
self.namecolumn.grid(row=1, column=3, sticky='WE', padx=1, pady=1)
self.formcolumn.grid(row=1, column=4, sticky='WE', padx=1, pady=1)
self.tempcolumn.grid(row=1, column=5, sticky='WE', padx=1, pady=1)
self.Dwcolumn.grid(row=1, column=6, sticky='WE', padx=1, pady=1)
self.Koccolumn.grid(row=1, column=7, sticky='WE', padx=1, pady=1)
self.Kdoccolumn.grid(row=1, column=8, sticky='WE', padx=1, pady=1)
self.Refcolumn.grid(row=1, column=9, sticky='WE', padx=1, pady=1)
self.endcolumn.grid(row=1, column=10, sticky='WE', padx=1, pady=1)
self.namelabel.grid(row=2, column=3, sticky='WE', padx=1, pady=1)
self.formlabel.grid(row=2, column=4, sticky='WE', padx=1, pady=1)
self.templabel.grid(row=2, column=5, sticky='WE', padx=1, pady=1)
self.Dwlabel.grid(row=2, column=6, sticky='WE', padx=1, pady=1)
self.Koclabel.grid(row=2, column=7, sticky='WE', padx=1, pady=1)
self.Kdoclabel.grid(row=2, column=8, sticky='WE', padx=1, pady=1)
self.Reflabel.grid(row=2, column=9, sticky='WE', padx=1, pady=1)
self.tempunits.grid(row=3, column=5, sticky='WE', padx=1, pady=1)
self.Dwunits.grid(row=3, column=6, sticky='WE', padx=1, pady=1)
self.Kocunits.grid(row=3, column=7, sticky='WE', padx=1, pady=1)
self.Kdocunits.grid(row=3, column=8, sticky='WE', padx=1, pady=1)
#Bind the "return key" to the buttons
self.updatechemicals()
def updatechemicals(self, event=None):
self.addwidget.grid_forget()
self.tempwidget.grid_forget()
self.savebutton.grid_forget()
self.cancelbutton.grid_forget()
self.blank1.grid_forget()
self.blank2.grid_forget()
self.chemicals_list = self.chemicaldatas.keys()
self.chemicals_list.sort()
row = 4
namelabellength = 18
formlabellength = 10
Reflabellength = 18
for name in self.chemicals_list:
try:
self.chemicaldatas[name].remove_chemicalwidgets()
except:
pass
self.chemicaldatas[name].chemicalwidgets(self.frame, row,
self.master)
row = row + 1
if namelabellength < self.chemicaldatas[
name].namelabel.winfo_reqwidth() / 8:
namelabellength = int(
self.chemicaldatas[name].namelabel.winfo_reqwidth() /
8) + 1
if formlabellength < self.chemicaldatas[
name].formlabel.winfo_reqwidth() / 8:
formlabellength = int(
self.chemicaldatas[name].formlabel.winfo_reqwidth() /
8) + 1
if Reflabellength < self.chemicaldatas[
name].Reflabel.winfo_reqwidth() / 8:
Reflabellength = int(
self.chemicaldatas[name].Reflabel.winfo_reqwidth() / 8) + 1
self.namecolumn.config(width=namelabellength)
self.formcolumn.config(width=formlabellength)
self.Refcolumn.config(width=Reflabellength)
self.botnamecolumn.config(width=namelabellength)
self.botformcolumn.config(width=formlabellength)
self.botRefcolumn.config(width=Reflabellength)
self.botblankcolumn.grid(row=row,
column=0,
sticky='WE',
padx=1,
pady=1)
self.boteditcolumn.grid(row=row, column=1, sticky='WE', padx=1, pady=1)
self.botdelcolumn.grid(row=row, column=2, sticky='WE', padx=1, pady=1)
self.botnamecolumn.grid(row=row, column=3, sticky='WE', padx=1, pady=1)
self.botformcolumn.grid(row=row, column=4, sticky='WE', padx=1, pady=1)
self.bottempcolumn.grid(row=row, column=5, sticky='WE', padx=1, pady=1)
self.botDwcolumn.grid(row=row, column=6, sticky='WE', padx=1, pady=1)
self.botKoccolumn.grid(row=row, column=7, sticky='WE', padx=1, pady=1)
self.botKdoccolumn.grid(row=row, column=8, sticky='WE', padx=1, pady=1)
self.botRefcolumn.grid(row=row, column=9, sticky='WE', padx=1, pady=1)
self.botendcolumn.grid(row=row, column=10, sticky='WE', padx=1, pady=1)
self.blank2.grid(row=row)
row = row + 1
self.addwidget.grid(row=row, columnspan=11)
row = row + 1
self.tempwidget.grid(row=row, columnspan=11)
row = row + 1
self.importwidget.grid(row=row, columnspan=11)
row = row + 1
self.savebutton.grid(row=row, columnspan=11)
row = row + 1
self.cancelbutton.grid(row=row, columnspan=11)
row = row + 1
self.blank3.grid(row=row)
row = row + 1
self.savebutton.bind('<Return>', self.OK)
self.cancelbutton.bind('<Return>', self.cancel)
self.focusbutton = self.cancelbutton
self.master.geometry()
self.master.center()
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()
def importchemicaldata(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(
DatabaseImporter(self.top, self.system, database_imported))
self.top.tk.mainloop()
duplicate_name = []
duplicate_temp = []
if self.top.window.cancelflag == 0:
error_check = 0
for name in self.top.window.chemicals_list:
if self.top.window.importedchemicals[name].check == 1:
if self.chemicals_list.count(
self.top.window.importedchemicals[name].
name_new) == 0:
self.chemicals_list.append(
self.top.window.importedchemicals[name].
name_new)
self.chemicaldatas[
self.top.window.importedchemicals[name].
name_new] = ChemicalData(
self.top.window.
importedchemicals[name].name_new)
self.chemicaldatas[
self.top.window.importedchemicals[name].
name_new].read_database(
self.top.window.importedchemicals[name]
)
else:
for temp in self.top.window.importedchemicals[
name].temps:
if self.chemicaldatas[
self.top.window.
importedchemicals[name].
name_new].temps.count(temp) == 0:
self.chemicaldatas[
self.top.window.
importedchemicals[name].
name_new].read_temperature(
self.top.window.
importedchemicals[name], temp)
else:
duplicate_name.append(
self.top.window.
importedchemicals[name].name_new)
duplicate_temp.append(temp)
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]) + ' @ ' + str(
duplicate_temp[na]) + 'C \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.updatechemicals()
def addtempdata(self, event=None):
name = self.chemicals_list[0]
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=0,
tempflag=1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.chemicaldatas[
self.top.window.name.get()].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 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 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 cancel(self, event=None):
self.exitflag = 1
self.frame.quit()
def OK(self, event=None):
"""Finish and move on."""
self.database = {}
for name in self.chemicals_list:
chemicaldata = self.chemicaldatas[name]
index = self.chemicals_list.index(name)
self.database[name] = ChemicalDatabase(chemicaldata.name,
chemicaldata.formula,
index + 1, chemicaldata.MW)
for temp in chemicaldata.temps:
Dw = chemicaldata.Dw[temp]
Kow = chemicaldata.Kow[temp]
density = chemicaldata.density[temp]
Ref = chemicaldata.Ref[temp]
Koc = chemicaldata.Koc[temp]
Kdoc = chemicaldata.Kdoc[temp]
Kf = chemicaldata.Kf[temp]
N = chemicaldata.N[temp]
self.database[name].add_properties(temp, Kow, density, Ref, Dw,
Koc, Kdoc, Kf, N)
self.exitflag = 1
self.frame.quit()
class MatrixProperties:
"""Gets the contaminant properties."""
def __init__(self, master, system, materials):
"""Constructor method. Defines the parameters to be obtained in this window."""
self.master = master
self.fonttype = system.fonttype
self.version = system.version
self.superfont = get_superfont(self.fonttype) #superscript font
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.top = None #flag for existence of toplevel#
self.system = system
self.materials = materials
if system.matrices is None:
self.matrices = []
self.nmatrices = 0
else:
self.matrices = system.matrices
self.nmatrices = system.nmatrices
def make_widgets(self):
"""Make the widgets for the window."""
self.bgcolor = self.frame.cget('bg')
# Construct all label widgets used in the problem
self.instructions = Label(self.tframe, text = ' Please select the potential layer materials and provide the following properties: ')
self.blankcolumn = Label(self.tframe, text ='', width = 1)
self.editcolumn = Label(self.tframe, text =' ', width = 6)
self.delcolumn = Label(self.tframe, text =' ', width = 6)
self.namecolumn = Label(self.tframe, text =' ', width = 20)
self.ecolumn = Label(self.tframe, text =' ', width = 15)
self.rhocolumn = Label(self.tframe, text =' ', width = 15)
self.foccolumn = Label(self.tframe, text =' ', width = 20)
self.endcolumn = Label(self.tframe, text =' ', width = 2)
self.namelabel = Label(self.tframe, text = 'Matrix')
self.elabel = Label(self.tframe, text = 'Porosity')
self.rholabel = Label(self.tframe, text = 'Bulk density' )
self.foclabel = Label(self.tframe, text = 'Organic carbon fraction')
self.rhounit = Label(self.tframe, text = u'g/cm\u00B3')
self.botblankcolumn = Label(self.frame, text ='', width = 1)
self.boteditcolumn = Label(self.frame, text =' ', width = 6)
self.botdelcolumn = Label(self.frame, text =' ', width = 6)
self.botnamecolumn = Label(self.frame, text =' ', width = 20)
self.botecolumn = Label(self.frame, text =' ', width = 15)
self.botrhocolumn = Label(self.frame, text =' ', width = 15)
self.botfoccolumn = Label(self.frame, text =' ', width = 20)
self.botendcolumn = Label(self.frame, text =' ', width = 2)
self.blank1 = Label(self.bframe, text = ' ')
self.blank2 = Label(self.bframe, text = ' ')
self.blank3 = Label(self.bframe, text = ' ')
self.addwidget = Button(self.bframe, text = 'Add materials', command = self.addmatrix, width = 20)
self.loadwidget = Button(self.bframe, text = 'Load materials', command = self.loadmatrix, width = 20)
self.mixwidget = Button(self.bframe, text = 'Create mixtures', command = self.addmixture, width = 20)
#show the widgets on the grid
self.instructions.grid( row = 0, column = 0, sticky = 'W', padx = 8, columnspan = 6,)
self.blankcolumn.grid( row = 1, column = 0, sticky = 'WE', padx = 1, pady = 1)
self.editcolumn.grid( row = 1, column = 1, sticky = 'WE', padx = 1, pady = 1)
self.delcolumn.grid( row = 1, column = 2, sticky = 'WE', padx = 1, pady = 1)
self.namecolumn.grid( row = 1, column = 3, sticky = 'WE', padx = 1, pady = 1)
self.ecolumn.grid( row = 1, column = 4, sticky = 'WE', padx = 1, pady = 1)
self.rhocolumn.grid( row = 1, column = 5, sticky = 'WE', padx = 1, pady = 1)
self.foccolumn.grid( row = 1, column = 6, sticky = 'WE', padx = 1, pady = 1)
self.namelabel.grid( row = 2, column = 3, sticky = 'WE', padx = 1, pady = 1)
self.elabel.grid ( row = 2, column = 4, sticky = 'WE', padx = 1, pady = 1)
self.rholabel.grid ( row = 2, column = 5, sticky = 'WE', padx = 1, pady = 1)
self.foclabel.grid ( row = 2, column = 6, sticky = 'WE', padx = 1, pady = 1)
self.rhounit.grid ( row = 3, column = 5, sticky = 'WE', padx = 1, pady = 1)
self.updatematrices()
def updatematrices(self):
self.addwidget.grid_forget()
self.loadwidget.grid_forget()
self.blank1.grid_forget()
self.botblankcolumn.grid_forget()
self.boteditcolumn.grid_forget()
self.botdelcolumn.grid_forget()
self.botnamecolumn.grid_forget()
self.botecolumn.grid_forget()
self.botrhocolumn.grid_forget()
self.botfoccolumn.grid_forget()
material_list = self.materials.keys()
for matrix in self.matrices:
if len(matrix.components) == 1 :
try: material_list.remove(matrix.name)
except: pass
row = 4
for matrix in self.matrices:
try: matrix.remove_propertieswidgets()
except:pass
matrix.number = self.matrices.index(matrix) + 1
matrix.propertieswidgets(self.frame, row, self.master)
row = row + 1
self.botblankcolumn.grid( row = row, column = 0, sticky = 'WE', padx = 1, pady = 1)
self.boteditcolumn.grid( row = row, column = 1, sticky = 'WE', padx = 1, pady = 1)
self.botdelcolumn.grid( row = row, column = 2, sticky = 'WE', padx = 1, pady = 1)
self.botnamecolumn.grid( row = row, column = 3, sticky = 'WE', padx = 1, pady = 1)
self.botecolumn.grid( row = row, column = 4, sticky = 'WE', padx = 1, pady = 1)
self.botrhocolumn.grid( row = row, column = 5, sticky = 'WE', padx = 1, pady = 1)
self.botfoccolumn.grid( row = row, column = 6, sticky = 'WE', padx = 1, pady = 1)
row = 0
self.blank1.grid(row = row)
row = row + 1
self.blank2.grid(row = row)
row = row + 1
self.addwidget.grid(row = row, columnspan = 11)
row = row + 1
if len(material_list) > 0:
self.loadwidget.grid(row = row, columnspan = 11)
row = row + 1
self.mixwidget.grid(row = row, columnspan = 11)
row = row + 1
self.addwidget.bind('<Return>', self.addmatrix)
self.mixwidget.bind('<Return>', self.addmixture)
if self.nmatrices == 0: self.focusbutton = self.addwidget
else: self.focusbutton = None
self.master.geometry()
self.master.center()
def addmixture(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(MixtureEditor(self.top, self.system, self.matrices[-1], self.matrices, self.materials, editflag = 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
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 addmatrix(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 = 1))
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 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 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 deletematrix(self, number):
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(MatrixDeleter(self.top, self.system, self.matrices[number-1]))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.matrices[number-1].remove_propertieswidgets()
self.matrices.remove(self.matrices[number-1])
self.nmatrices = self.nmatrices - 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.updatematrices()
def error_check(self):
error = 0
if self.nmatrices == 0: error = 1
return error
def warning(self):
tkmb.showerror(title = self.version, message = 'No matrices has been selected, please add matrices by pressing the button "Add materials" or the button "Add mixture"')
self.focusbutton = None
self.master.tk.lift()
class SorptionEditor:
"""Gets the contaminant properties."""
def __init__(self, master, system, sorption):
"""Constructor method. Defines the parameters to be obtained in this
window."""
self.master = master
self.fonttype = system.fonttype
self.version = system.version
self.sfont = get_superfont(self.fonttype) #superscript font
self.frame = Frame(master.frame)
self.tframe = Frame(master.tframe)
self.bframe = Frame(master.bframe)
self.top = None #flag for existence of toplevel#
self.system = system
self.isotherms = ['Linear--Kd specified', 'Linear--Kocfoc', 'Freundlich', 'Langmuir']
self.kinetics = ['Equilibrium', 'Transient']
self.sorption = sorption
self.isotherm = StringVar(value = sorption.isotherm)
self.kinetic = StringVar(value = sorption.kinetic)
self.K = DoubleVar(value = sorption.K)
self.Koc = DoubleVar(value = sorption.Koc)
self.Kf = DoubleVar(value = sorption.Kf)
self.N = DoubleVar(value = sorption.N)
self.qmax = DoubleVar(value = sorption.qmax)
self.b = DoubleVar(value = sorption.b)
self.ksorp = DoubleVar(value = sorption.ksorp)
self.cinit = sorption.cinit
self.qinit = sorption.qinit
self.thalf = sorption.thalf
self.concunit = system.concunit
self.timeunit = system.timeunit
self.tkfont = tkFont.Font(font = self.fonttype)
self.cancelflag = 0
def make_widgets(self):
"""Make the widgets for the window."""
self.bgcolor = self.frame.cget('bg')
self.instructions = Label(self.frame, text = ' Please provide the following sorption properties: ')
self.leftcolumn = Label(self.frame, width = 2, text = '' )
self.matrixcolumn = Label(self.frame, width = 10, text = '' )
self.chemicalcolumn = Label(self.frame, width = 10, text = '' )
self.isothermcolumn = Label(self.frame, width = 20, text = '' )
self.kineticcolumn = Label(self.frame, width = 15, text = '' )
self.equacolumn = Label(self.frame, width = 17, text = '' )
self.coefcolumn1 = Label(self.frame, width = 6, text = '' )
self.coefcolumn2 = Label(self.frame, width = 9, text = '' )
self.coefcolumn3 = Label(self.frame, width = int(self.tkfont.measure(self.concunit[:-1]+'/kg/('+ self.concunit +')'+ u'\u1d3a')/8)+1, text = '' )
self.coefcolumn4 = Label(self.frame, width = 4, text = '' )
self.coefcolumn5 = Label(self.frame, width = 9, text = '' )
self.coefcolumn6 = Label(self.frame, width = int(self.tkfont.measure(self.concunit)/8)+1, text = '' )
self.coefcolumn7 = Label(self.frame, width = 7, text = '' )
self.coefcolumn8 = Label(self.frame, width = 9, text = '' )
self.coefcolumn9 = Label(self.frame, width = 10, text = '' )
self.rightcolumn = Label(self.frame, width = 2, text = '' )
self.matrixlabel = Label(self.frame, text = 'Matrix')
self.chemicallabel = Label(self.frame, text = 'Chemical')
self.isothermlabel = Label(self.frame, text = 'Sorption Isotherm')
self.kineticlabel = Label(self.frame, text = 'Kinetics')
self.matrixwidget = Label(self.frame, text = self.sorption.matrix.name)
self.chemicalwidget = Label(self.frame, text = self.sorption.chemical.name)
self.isothermwidget = OptionMenu(self.frame, self.isotherm, *self.isotherms, command = self.click_isotherm)
self.kineticwidget = OptionMenu(self.frame, self.kinetic, *self.kinetics, command = self.click_kinetic)
self.okbutton = Button(self.frame, text = 'OK', width = 20, command = self.OK)
self.cancelbutton = Button(self.frame, text = 'Cancel', width = 20, command = self.Cancel)
self.blank1 = Label(self.frame, text = ' ')
self.blank2 = Label(self.frame, text = ' ')
#show the widgets on the grid
self.instructions.grid(row = 0, column = 0, columnspan = 15, padx = 2, pady = 8, sticky = 'W')
self.leftcolumn.grid( row = 1, column = 0, padx = 2, pady = 1, sticky = 'WE')
self.matrixcolumn.grid( row = 1, column = 1, padx = 2, pady = 1, sticky = 'WE')
self.chemicalcolumn.grid(row = 1, column = 2, padx = 2, pady = 1, sticky = 'WE')
self.isothermcolumn.grid(row = 1, column = 3, padx = 2, pady = 1, sticky = 'WE')
self.kineticcolumn.grid( row = 1, column = 4, padx = 2, pady = 1, sticky = 'WE')
self.equacolumn.grid( row = 1, column = 5, padx = 2, pady = 1, sticky = 'WE')
self.coefcolumn1.grid( row = 1, column = 6, padx = 0, pady = 1)
self.coefcolumn2.grid( row = 1, column = 7, padx = 0, pady = 1)
self.coefcolumn3.grid( row = 1, column = 8, padx = 0, pady = 1)
self.coefcolumn4.grid( row = 1, column = 9, padx = 0, pady = 1)
self.coefcolumn5.grid( row = 1, column = 10, padx = 0, pady = 1)
self.coefcolumn6.grid( row = 1, column = 11, padx = 0, pady = 1)
self.coefcolumn7.grid( row = 1, column = 12, padx = 0, pady = 1)
self.coefcolumn8.grid( row = 1, column = 13, padx = 0, pady = 1)
self.coefcolumn9.grid( row = 1, column = 14, padx = 0, pady = 1)
self.rightcolumn.grid( row = 1, column = 15, padx = 0, pady = 1)
self.matrixlabel.grid( row = 2, column = 1, padx = 2, pady = 4, sticky = 'WE')
self.chemicallabel.grid( row = 2, column = 2, padx = 2, pady = 4, sticky = 'WE')
self.isothermlabel.grid( row = 2, column = 3, padx = 2, pady = 4, sticky = 'WE')
self.kineticlabel.grid( row = 2, column = 4, padx = 2, pady = 4, sticky = 'WE')
self.matrixwidget.grid( row = 3, column = 1, padx = 2, pady = 1, sticky = 'WE')
self.chemicalwidget.grid(row = 3, column = 2, padx = 2, pady = 1, sticky = 'WE')
self.isothermwidget.grid(row = 3, column = 3, padx = 2, pady = 1, sticky = 'WE')
self.kineticwidget.grid( row = 3, column = 4, padx = 2, pady = 1, sticky = 'WE')
self.blank1.grid( row = 4)
self.okbutton.grid( row = 5, columnspan = 15)
self.cancelbutton.grid( row = 6, columnspan = 15)
self.blank2.grid( row = 7)
self.okbutton.bind('<Return>', self.OK)
self.focusbutton = self.okbutton
self.click_isotherm()
self.click_kinetic()
def click_kinetic(self, event = None):
bgcolor = self.frame.cget('bg')
try:
self.klabel.grid_forget()
self.ksorplabel.grid_forget()
self.ksorpwidget.grid_forget()
self.ksorpunits.grid_forget()
except: pass
if self.kinetic.get() == self.kinetics[1]:
if self.isotherm.get() == self.isotherms[3]:
self.klabel = Label(self.frame, text = 'Kinetic rate coefficient:')
else:
self.klabel = Button(self.frame, text = 'Kinetic rate coefficient:', command = self.k_estimator)
self.ksorplabel = Text(self.frame, width = 7, height = 1)
self.ksorplabel.insert('end', u'k')
self.ksorplabel.insert('end', 'sorp', 'sub')
self.ksorplabel.insert('end', u' =')
self.ksorplabel.tag_config('sub', offset = -2, font = 'Arial 8')
self.ksorplabel.tag_config('right', justify = 'right')
self.ksorplabel.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.ksorpwidget = Entry(self.frame, textvariable = self.ksorp, justify = 'center', width = 10)
if self.isotherm.get() == self.isotherms[0] or self.isotherm.get() == self.isotherms[1]:
self.ksorpunits = Label(self.frame, text = self.timeunit +u'\u207B\u00b9')
if self.isotherm.get() == self.isotherms[2]:
self.ksorpunits = Label(self.frame, text = self.timeunit +u'\u207B\u00b9')
if self.isotherm.get() == self.isotherms[3]:
self.ksorpunits = Label(self.frame, text = '(' + self.concunit[:-1] +'kg)'+u'\u207B\u00b9 ' +self.timeunit + u'\u207B\u00b9')
self.klabel.grid( row = 2, column = 12, padx = 1, pady = 1, sticky = 'WE', columnspan = 3)
self.ksorplabel.grid( row = 3, column = 12, padx = 1, pady = 5, sticky = 'SE')
self.ksorpwidget.grid(row = 3, column = 13, padx = 1, pady = 1)
self.ksorpunits.grid( row = 3, column = 14, padx = 1, sticky = 'W')
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 click_isotherm(self, event = None):
try:
self.equalabel.grid_forget()
self.coeflabel.grid_forget()
self.eqwidget.grid_forget()
except: pass
try:
self.Klabel.grid_forget()
self.Kwidget.grid_forget()
self.Kunits.grid_forget()
except: pass
try:
self.Koclabel.grid_forget()
self.Kocwidget.grid_forget()
self.Kocunits.grid_forget()
except: pass
try:
self.Kflabel.grid_forget()
self.Nlabel.grid_forget()
self.Kfwidget.grid_forget()
self.Nwidget.grid_forget()
self.Kfunits.grid_forget()
except: pass
try:
self.qmaxlabel.grid_forget()
self.qmaxwidget.grid_forget()
self.qmaxunits.grid_forget()
self.blabel.grid_forget()
self.bwidget.grid_forget()
self.bunits.grid_forget()
except: pass
bgcolor = self.frame.cget('bg')
if self.isotherm.get() == self.isotherms[0]:
self.equalabel = Label(self.frame, text = 'Isotherm Equation')
self.eqwidget = Text(self.frame, width = 7, height = 1)
self.eqwidget.insert('end', u'q = K')
self.eqwidget.insert('end', 'd', 'sub')
self.eqwidget.insert('end', 'C')
self.eqwidget.tag_config('sub', offset = -2, font = 'Arial 8')
self.eqwidget.tag_config('right', justify = 'center')
self.eqwidget.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.coeflabel = Label(self.frame, text = 'Matrix-water partition coefficient')
self.Klabel = Text(self.frame, width = 4, height = 1)
self.Klabel.insert('end', 'K')
self.Klabel.insert('end', 'd', 'sub')
self.Klabel.insert('end', ' =')
self.Klabel.tag_config('sub', offset = -2, font = 'Arial 8')
self.Klabel.tag_config('right', justify = 'right')
self.Klabel.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.Kwidget = Entry(self.frame, textvariable = self.K, justify = 'center', width = 10)
self.Kunits = Label(self.frame, text = 'L/kg')
self.equalabel.grid( row = 2, column = 5, padx = 2, pady = 1, sticky = 'WE')
self.coeflabel.grid( row = 2, column = 6, padx = 2, pady = 1, sticky = 'WE', columnspan = 6)
self.eqwidget.grid( row = 3, column = 5, padx = 1, pady = 5, sticky = 'S')
self.Klabel.grid( row = 3, column = 6, padx = 0, pady = 5, sticky = 'SE')
self.Kwidget.grid( row = 3, column = 7, padx = 0)
self.Kunits.grid( row = 3, column = 8, padx = 0, sticky = 'W')
elif self.isotherm.get() == self.isotherms[1]:
self.equalabel = Label(self.frame, text = 'Isotherm Equation')
self.eqwidget = Text(self.frame, width = 10, height = 1)
self.eqwidget.insert('end', u'q = K')
self.eqwidget.insert('end', 'oc', 'sub')
self.eqwidget.insert('end', 'f')
self.eqwidget.insert('end', 'oc', 'sub')
self.eqwidget.insert('end', 'C')
self.eqwidget.tag_config('sub', offset = -2, font = 'Arial 8')
self.eqwidget.tag_config('right', justify = 'right')
self.eqwidget.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.coeflabel = Label(self.frame, text = 'Organic carbon partition coefficient:')
self.Koclabel = Text(self.frame, width = 5, height = 1)
self.Koclabel.insert('end', 'K')
self.Koclabel.insert('end', 'oc', 'sub')
self.Koclabel.insert('end', ' =')
self.Koclabel.tag_config('sub', offset = -2, font = 'Arial 8')
self.Koclabel.tag_config('right', justify = 'right')
self.Koclabel.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.Kocwidget = Entry(self.frame, textvariable = self.Koc, justify = 'center', width = 10)
self.Kocunits = Label(self.frame, text = 'log(L/kg)')
self.equalabel.grid( row = 2, column = 5, padx = 2, pady = 1, sticky = 'WE')
self.coeflabel.grid( row = 2, column = 6, padx = 2, pady = 1, sticky = 'WE', columnspan = 6)
self.eqwidget.grid( row = 3, column = 5, padx = 1, pady = 5, sticky = 'S')
self.Koclabel.grid ( row = 3, column = 6, padx = 0, pady = 5, sticky = 'SE')
self.Kocwidget.grid( row = 3, column = 7, padx = 0)
self.Kocunits.grid( row = 3, column = 8, padx = 0, sticky = 'W')
elif self.isotherm.get() == self.isotherms[2]:
self.equalabel = Label(self.frame, text = 'Isotherm Equation')
self.eqwidget = Text(self.frame, width = 8, height = 1)
self.eqwidget.insert('end', u'q = K')
self.eqwidget.insert('end', 'F', 'sub')
self.eqwidget.insert('end', 'C')
self.eqwidget.insert('end', 'N', 'super')
self.eqwidget.tag_config('sub', offset = -2, font = 'Arial 8')
self.eqwidget.tag_config('super', offset = 5, font = self.sfont)
self.eqwidget.tag_config('right', justify = 'right')
self.eqwidget.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.coeflabel = Label(self.frame, text = 'Freudlich isotherm coefficient:')
self.Kflabel = Text(self.frame, width = 4, height = 1)
self.Kflabel.insert('end', u'K')
self.Kflabel.insert('end', 'F', 'sub')
self.Kflabel.insert('end', u' =')
self.Kflabel.tag_config('sub', offset = -2, font = 'Arial 8')
self.Kflabel.tag_config('right', justify = 'right')
self.Kflabel.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.Nlabel = Label(self.frame, text = 'N =')
self.Kfwidget = Entry(self.frame, textvariable = self.Kf,justify = 'center', width = 10)
self.Nwidget = Entry(self.frame, textvariable = self.N, justify = 'center', width = 10)
self.Kfunits = Label(self.frame, text = self.concunit[:-1]+'/kg/('+ self.concunit +')'+ u'\u1d3a')
self.equalabel.grid( row = 2, column = 5, padx = 2, pady = 1, sticky = 'WE')
self.coeflabel.grid( row = 2, column = 6, padx = 2, pady = 1, sticky = 'WE', columnspan = 6)
self.eqwidget.grid( row = 3, column = 5, padx = 1, pady = 5, sticky = 'S')
self.Kflabel.grid( row = 3, column = 6, padx = 0, pady = 5, sticky = 'SE')
self.Kfwidget.grid( row = 3, column = 7, padx = 0)
self.Kfunits.grid( row = 3, column = 8, padx = 0, sticky = 'W')
self.Nlabel.grid ( row = 3, column = 9, padx = 0, sticky = 'E')
self.Nwidget.grid( row = 3, column = 10, padx = 0)
elif self.isotherm.get() == self.isotherms[3]:
self.equalabel = Label(self.frame, text = 'Isotherm Equation')
self.eqwidget = Text(self.frame, width = 17, height = 0.1)
self.eqwidget.insert('end', u'q = q')
self.eqwidget.insert('end', 'max', 'sub')
self.eqwidget.insert('end', 'b*C/(1+b*C)')
self.eqwidget.tag_config('sub', offset = -2, font = 'Arial 8')
self.eqwidget.tag_config('right', justify = 'right')
self.eqwidget.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.coeflabel = Label(self.frame, text = 'Langmuir isotherm coefficient:')
self.qmaxlabel = Text(self.frame, width = 7, height = 0.1)
self.qmaxlabel.insert('end', ' ', 'sub')
self.qmaxlabel.insert('end', u'q')
self.qmaxlabel.insert('end', 'max', 'sub')
self.qmaxlabel.insert('end', u' =')
self.qmaxlabel.tag_config('sub', offset = -3, font = 'Arial 8')
self.qmaxlabel.tag_config('right', justify = 'right')
self.qmaxlabel.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.qmaxwidget = Entry(self.frame, textvariable = self.qmax, justify = 'center', width = 10)
self.qmaxunits = Label(self.frame, text = self.concunit[:-1] + 'kg')
self.blabel = Label(self.frame, text = 'b =')
self.bwidget = Entry(self.frame, textvariable = self.b, justify = 'center', width = 10)
self.bunits = Label(self.frame, text = 'L/' + self.concunit[:-2])
self.equalabel.grid( row = 2, column = 5, padx = 2, pady = 1, sticky = 'WE')
self.coeflabel.grid( row = 2, column = 6, padx = 2, pady = 1, sticky = 'WE', columnspan = 6)
self.eqwidget.grid( row = 3, column = 5, padx = 1, pady = 5, sticky = 'S')
self.qmaxlabel.grid( row = 3, column = 6, padx = 0, pady = 5, sticky = 'SE')
self.qmaxwidget.grid( row = 3, column = 7, padx = 0, pady = 1)
self.qmaxunits.grid( row = 3, column = 8, padx = 0, pady = 1, sticky = 'W')
self.blabel.grid( row = 3, column = 9, padx = 0, pady = 1, sticky = 'E')
self.bwidget.grid( row = 3, column = 10, padx = 0, pady = 1)
self.bunits.grid( row = 3, column = 11, padx = 0, pady = 1, sticky = 'W')
self.click_kinetic()
def OK(self, event = None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
if self.master.window.top is not None: self.master.open_toplevel()
else: self.master.tk.quit()
def Cancel(self):
try:
self.isotherm.set(self.sorption.isotherm)
self.kinetic.set(self.sorption.kinetic)
self.K.set(self.sorption.K)
self.Koc.set(self.sorption.Koc)
self.Kf.set(self.sorption.Kf)
self.N.set(self.sorption.N)
self.qmax.set(self.sorption.qmax)
self.b.set(self.sorption.b)
self.ksorp.set(self.sorption.ksorp)
except: self.cancelflag = 1
if self.master.window.top is not None: self.master.open_toplevel()
else: self.master.tk.quit()
class ReactionCoefficients:
"""Gets the model types for each of the layers in the system."""
def __init__(self, master, system, editflag):
"""Constructor method. Used to defines the layers."""
self.master = master
self.version = system.version
self.fonttype = system.fonttype
self.formulatype = system.formulatype
self.superfont = get_superfont(self.fonttype)
self.subfont = get_superfont(self.formulatype)
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.bgcolor = self.frame.cget('bg')
self.top = None
self.system = system
self.concunit = system.concunit
self.timeunit = system.timeunit
self.concunits = system.concunits
# Convert mass concentration units to corresponding molar concentration units
if self.concunit == system.concunits[0]:
self.concunit = system.concunits[3]
if self.concunit == system.concunits[1]:
self.concunit = system.concunits[4]
if self.concunit == system.concunits[2]:
self.concunit = system.concunits[5]
self.reactions = system.reactions
self.layers = system.layers
self.coefficients = system.coefficients
if system.coefficients == None:
self.coefficients = {}
for layer in self.layers:
layerindex = self.layers.index(layer)
self.coefficients[layer.name] = {}
for reaction in self.reactions:
self.coefficients[layer.name][reaction.name] = Coefficient(
layer, reaction)
self.name_max = 0
self.formula_max = 0
self.rate_max = 0
self.value_max = 0
unitindex = 0
tkfont = tkFont.Font(font=self.formulatype)
tksubfont = tkFont.Font(font=self.superfont)
tksuperfont = tkFont.Font(font=self.subfont)
for reaction in self.reactions:
if tkfont.measure(reaction.name) > self.name_max:
self.name_max = tkfont.measure(reaction.name)
if tkfont.measure(reaction.equation) > self.formula_max:
self.formula_max = tkfont.measure(reaction.equation)
rate_len = tkfont.measure(u'r = \u03BB')
rate_len = rate_len + tksubfont.measure(str(reaction.number) + ',')
rate_len = rate_len + tksubfont.measure(str(10))
for reactant in reaction.reactants:
if reactant.index <> 0:
rate_len = rate_len + tkfont.measure('C')
rate_len = rate_len + tksubfont.measure(reactant.formula)
if reactant.index == int(reactant.index):
index = int(reactant.index)
else:
index = reactant.index
if index <> 1.:
rate_len = rate_len + tksuperfont.measure(
str(index) + ' ')
unitindex = unitindex + reactant.index
lam_len = tkfont.measure(u'\u03BB')
lam_len = lam_len + tksubfont.measure(str(reaction.number) + ',')
lam_len = lam_len + tksubfont.measure(str(10))
lam_len = lam_len + tkfont.measure(' = ' + str(1000) + ' ')
if unitindex == int(unitindex): unitindex = int(unitindex)
if (unitindex - 1) != 0:
if (unitindex - 1) != 1:
lam_len = lam_len + tkfont.measure('(' + self.concunit +
')')
lam_len = lam_len + tksuperfont.measure(
str(-(unitindex - 1)))
else:
lam_len = lam_len + tkfont.measure(self.concunit)
lam_len = lam_len + tkfont.measure(self.timeunit)
lam_len = lam_len + tksuperfont.measure('-1')
if self.rate_max < rate_len: self.rate_max = rate_len
if self.value_max < lam_len: self.value_max = lam_len
def make_widgets(self):
"""Makes the widgets for the GUI."""
self.instructions = Label(
self.tframe,
text='Please input the reaction information in each layer: '
)
self.blankcolumn = Label(self.tframe,
text='',
font='courier 10',
width=1)
self.editcolumn = Label(self.tframe,
text='',
font='courier 10',
width=6)
self.delcolumn = Label(self.tframe,
text='',
font='courier 10',
width=6)
self.layercolumn = Label(self.tframe,
text='',
font='courier 10',
width=10)
self.namecolumn = Label(self.tframe,
text='',
font='courier 10',
width=max(int(self.name_max / 8) + 1, 15))
self.equationcolumn = Label(self.tframe,
text='',
font='courier 10',
width=max(
int(self.formula_max / 8) + 1, 20))
self.ratecolumn = Label(self.tframe,
text='',
font='courier 10',
width=max(int(self.rate_max / 8) + 1, 10))
self.coefcolumn = Label(self.tframe,
text='',
font='courier 10',
width=max(int(self.value_max / 8) + 1, 10))
self.endcolumn = Label(self.tframe,
text='',
font='courier 10',
width=1)
self.layerlabel = Label(self.tframe, text='Layer')
self.namelabel = Label(self.tframe, text='Reaction')
self.equationlabel = Label(self.tframe, text='Chemical equation')
self.ratelabel = Label(self.tframe, text='Rate equation')
self.coeflabel = Label(self.tframe, text='Coefficient')
self.botblankcolumn = Label(self.frame,
text='',
font='courier 10',
width=1)
self.boteditcolumn = Label(self.frame,
text='',
font='courier 10',
width=6)
self.botdelcolumn = Label(self.frame,
text='',
font='courier 10',
width=6)
self.botlayercolumn = Label(self.frame,
text='',
font='courier 10',
width=10)
self.botnamecolumn = Label(self.frame,
text='',
font='courier 10',
width=max(int(self.name_max / 8) + 1, 15))
self.botequationcolumn = Label(self.frame,
text='',
font='courier 10',
width=max(
int(self.formula_max / 8) + 1, 20))
self.botratecolumn = Label(self.frame,
text='',
font='courier 10',
width=max(int(self.rate_max / 8) + 1, 10))
self.botcoefcolumn = Label(self.frame,
text='',
font='courier 10',
width=max(int(self.value_max / 8) + 1, 10))
self.botendcolumn = Label(self.frame,
text='',
font='courier 10',
width=1)
self.addwidget = Button(self.bframe,
text='Add reactions',
command=self.addcoefficient,
width=20)
self.blank1 = Label(self.bframe, text=' ')
self.blank2 = Label(self.bframe, text=' ')
#self.blank3 = Label (self.frame, text = ' ')
self.blank4 = Label(self.bframe, text=' ')
self.topline = Label(self.frame, width=10, text='-' * 1000)
#show the widgets on the grid
self.instructions.grid(row=0,
column=0,
padx=8,
columnspan=6,
sticky='W')
self.blankcolumn.grid(row=1, column=0, sticky='WE', padx=1)
self.layercolumn.grid(row=1, column=1, sticky='WE', padx=4)
self.editcolumn.grid(row=1, column=2, sticky='WE', padx=1, pady=1)
self.delcolumn.grid(row=1, column=3, sticky='WE', padx=1, pady=1)
self.namecolumn.grid(row=1, column=4, sticky='WE', padx=4)
self.equationcolumn.grid(row=1, column=5, sticky='WE', padx=4)
self.ratecolumn.grid(row=1, column=6, sticky='WE', padx=4)
self.coefcolumn.grid(row=1, column=7, sticky='WE', padx=4)
self.endcolumn.grid(row=1, column=8, sticky='WE', padx=4)
self.layerlabel.grid(row=2, column=1, padx=1, sticky='WE', pady=4)
self.namelabel.grid(row=2, column=4, padx=1, sticky='WE', pady=4)
self.equationlabel.grid(row=2, column=5, padx=1, sticky='WE', pady=4)
self.ratelabel.grid(row=2, column=6, padx=1, sticky='WE', pady=4)
self.coeflabel.grid(row=2, column=7, padx=1, sticky='WE', pady=4)
#self.blank3.grid(row = 3)
self.updatecoefficients()
def updatecoefficients(self):
self.addwidget.grid_forget()
self.blank1.grid_forget()
self.blank2.grid_forget()
self.topline.grid_forget()
namelabellength = 15
full_check = 1
self.topline.grid(row=0, column=1, columnspan=7, sticky='WE', pady=1)
row = 1
for layer in self.layers:
row_layer = row
try:
layer.remove_reactionwidgets()
except:
pass
for reaction in self.reactions:
try:
self.coefficients[layer.name][
reaction.name].remove_propertieswidgets()
except:
pass
if self.coefficients[layer.name][reaction.name].lam <> 0:
self.coefficients[layer.name][
reaction.name].propertieswidgets(
self.frame, row, self.master, self.formulatype,
self.superfont, self.subfont, self.timeunit,
self.concunit)
row = row + 1
else:
full_check = 0
layer.reactionwidgets(self.frame, row, row_layer)
row = row + 2
self.botblankcolumn.grid(row=row, column=0, sticky='WE', padx=1)
self.botlayercolumn.grid(row=row, column=1, sticky='WE', padx=4)
self.boteditcolumn.grid(row=row, column=2, sticky='WE', padx=1, pady=1)
self.botdelcolumn.grid(row=row, column=3, sticky='WE', padx=1, pady=1)
self.botnamecolumn.grid(row=row, column=4, sticky='WE', padx=4)
self.botequationcolumn.grid(row=row, column=5, sticky='WE', padx=4)
self.botratecolumn.grid(row=row, column=6, sticky='WE', padx=4)
self.botcoefcolumn.grid(row=row, column=7, sticky='WE', padx=4)
self.botendcolumn.grid(row=row, column=8, sticky='WE', padx=4)
row = row + 1
self.blank1.grid(row=row, columnspan=11, sticky='WE')
row = row + 1
self.blank2.grid(row=row, columnspan=11)
row = row + 1
if full_check == 0:
self.addwidget.grid(row=row, columnspan=11)
row = row + 1
else:
self.blank4.grid(row=row, columnspan=11)
row = row + 1
self.focusbutton = None
self.master.geometry()
self.master.center()
def addcoefficient(self, event=None):
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
CoefficientEditor(self.top,
self.system,
self.coefficients[self.layers[0].name][
self.reactions[0].name],
self.coefficients,
editflag=0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.coefficients[self.top.window.layer.get()][
self.top.window.reaction.get()].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 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 delcoefficient(self, layername, reactionname):
self.coefficients[layername][reactionname].lam = 0
self.updatecoefficients()
def OK(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
if self.master.window.top is not None: self.master.open_toplevel()
else: self.master.tk.quit()
class LayerProperties:
"""Input the parameters for each of the layers in the system."""
def __init__(self, master, system, editflag = None):
"""Constructor method. Used to defines the layers."""
self.fonttype = system.fonttype
self.version = system.version
self.master = master
self.frame = Frame(master.frame)
self.tframe = Frame(master.tframe)
self.bframe = Frame(master.bframe)
self.superfont = get_superfont(self.fonttype)
self.top = None
self.system = system
self.lengthunit = system.lengthunit
if system.layers is None:
self.layers = []
self.nlayers = 0
else:
self.layers = system.layers
self.nlayers = system.nlayers
self.editflag = editflag
print(editflag)
if editflag == 1:
self.num_record = [j for j in range(self.nlayers)]
def make_widgets(self):
"""Make the widgets for the window."""
self.instructions = Label(self.tframe, text = 'Starting with the layer nearest the overlying water, please ' +
'provide the following information for each layer:' + ' '*20, justify = 'left')
self.blankcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 1)
self.editcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 6)
self.delcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 6)
self.namecolumn = Label(self.tframe, text = '', font = 'courier 10', width = 12)
self.typecolumn = Label(self.tframe, text = '', font = 'courier 10', width = 15)
self.tortcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 20)
self.thickcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 10)
self.alphacolumn = Label(self.tframe, text = '', font = 'courier 10', width = 15)
self.doccolumn = Label(self.tframe, text = '', font = 'courier 10', width = 20)
self.endcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 2)
#Title Widgets
self.material = Label(self.tframe, text = 'Material')
self.tortuosity = Label(self.tframe, text = 'Tortuosity Correction ')
self.thickness = Label(self.tframe, text = 'Thickness')
self.alpha = Label(self.tframe, text = 'Hydrodynamic\n'+'Dispersivity')
self.doclabel = Label(self.tframe, text = 'Dissolved organic\n'+'matter concentration ')
#Unit Widgets
self.thickunits = Label(self.tframe, text = self.lengthunit)
self.alphaunits = Label(self.tframe, text = self.lengthunit)
self.docunits = Label(self.tframe, text = 'mg/L')
self.botblankcolumn = Label(self.frame, text = '', font = 'courier 10', width = 1)
self.boteditcolumn = Label(self.frame, text = '', font = 'courier 10', width = 6)
self.botdelcolumn = Label(self.frame, text = '', font = 'courier 10', width = 6)
self.botnamecolumn = Label(self.frame, text = '', font = 'courier 10', width = 12)
self.bottypecolumn = Label(self.frame, text = '', font = 'courier 10', width = 15)
self.bottortcolumn = Label(self.frame, text = '', font = 'courier 10', width = 20)
self.botthickcolumn = Label(self.frame, text = '', font = 'courier 10', width = 10)
self.botalphacolumn = Label(self.frame, text = '', font = 'courier 10', width = 15)
self.botdoccolumn = Label(self.frame, text = '', font = 'courier 10', width = 20)
self.botendcolumn = Label(self.frame, text = '', font = 'courier 10', width = 2)
#a special OK button is needed to check bioturbation depth
self.blank1 = Label(self.bframe, text = ' ')
self.blank2 = Label(self.bframe, text = ' ')
self.addwidget = Button(self.bframe, text = 'Add layers', command = self.addlayer, width = 20)
#show the widgets on the grid
self.instructions.grid(row = 0, column = 0, padx = 6, sticky = 'W', columnspan = 10)
self.blankcolumn.grid( row = 1, column = 0)
self.editcolumn.grid( row = 1, column = 1)
self.delcolumn.grid( row = 1, column = 2)
self.namecolumn.grid( row = 1, column = 3)
self.typecolumn.grid( row = 1, column = 5)
self.tortcolumn.grid( row = 1, column = 4)
self.thickcolumn.grid( row = 1, column = 6)
self.alphacolumn.grid( row = 1, column = 7)
self.doccolumn.grid( row = 1, column = 8)
self.endcolumn .grid( row = 1, column = 9)
self.material.grid( row = 2, column = 4, padx = 0, sticky = 'N')
self.tortuosity.grid( row = 2, column = 5, padx = 0, sticky = 'N')
self.thickness.grid( row = 2, column = 6, padx = 0, sticky = 'N')
self.alpha.grid( row = 2, column = 7, padx = 0, sticky = 'N')
self.doclabel.grid( row = 2, column = 8, padx = 0, sticky = 'N')
self.thickunits.grid( row = 3, column = 6, padx = 0)
self.alphaunits.grid( row = 3, column = 7, padx = 0)
self.docunits.grid( row = 3, column = 8, padx = 0)
#make entry widgets for each of the layers
self.updatelayers()
def updatelayers(self):
self.addwidget.grid_forget()
self.blank1.grid_forget()
self.blank2.grid_forget()
namelabellength = 20
for layer in self.layers:
try: layer.remove_propertywidgets()
except: pass
if self.layers[0].number == 0: layer.number = self.layers.index(layer)
else: layer.number = self.layers.index(layer) + 1
if layer.number == 0: layer.name = 'Deposition'
else: layer.name = 'Layer ' + str(layer.number)
row = 4
for layer in self.layers:
layer.propertywidgets(self.frame, row, self.master)
row = row + 1
if namelabellength < layer.typelabel.winfo_reqwidth()/8: namelabellength = int(layer.typelabel.winfo_reqwidth()/8) + 1
self.typecolumn.config(width = namelabellength)
self.bottypecolumn.config(width = namelabellength)
self.botblankcolumn.grid( row = row, column = 0)
self.boteditcolumn.grid( row = row, column = 1)
self.botdelcolumn.grid( row = row, column = 2)
self.botnamecolumn.grid( row = row, column = 3)
self.bottypecolumn.grid( row = row, column = 5)
self.bottortcolumn.grid( row = row, column = 4)
self.botthickcolumn.grid( row = row, column = 6)
self.botalphacolumn.grid( row = row, column = 7)
self.botdoccolumn.grid( row = row, column = 8)
self.botendcolumn .grid( row = row, column = 9)
self.blank1.grid(row = row)
row = row + 1
self.blank2.grid(row = row)
row = row + 1
self.addwidget.grid(row = row, columnspan = 11)
row = row + 1
self.addwidget.bind('<Return>', self.addlayer)
if self.nlayers == 0: self.focusbutton = self.addwidget#self.okbutton
else: self.focusbutton = None
self.master.geometry()
self.master.center()
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 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 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 error_check(self, event = None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
error = 0
if self.nlayers == 0: error = 1
elif self.nlayers == 1 and self.layers[0].number ==0: error = 1
return error
def warning(self):
tkmb.showerror(title = self.version, message = 'No layer has been created, please add layers by pressing the button "Add layers"')
self.focusbutton = None
self.master.tk.lift()
class SorptionProperties:
"""Gets the model types for each of the layers in the system."""
def __init__(self, master, system):
"""Constructor method. Used to defines the layers."""
self.fonttype = system.fonttype
self.version = system.version
self.master = master
self.frame = Frame(master.frame)
self.tframe = Frame(master.tframe)
self.bframe = Frame(master.bframe)
self.sfont = get_superfont(self.fonttype)
self.top = None
self.system = system
self.chemicals = system.chemicals
self.matrices = system.matrices
self.timeunit = system.timeunit
self.concunit = system.concunit
self.defaults = 0
if master.master is None: self.defaults = 1
self.components = system.components
self.component_list = system.component_list
if system.sorptions is None:
self.sorptions = {}
for component in self.components:
self.sorptions[component.name] = {}
for chemical in self.chemicals:
self.sorptions[component.name][chemical.name] = Sorption(
component, chemical, unit=system.concunit)
else:
self.sorptions = system.sorptions
def make_widgets(self):
"""Make the widgets for the window."""
#Title Widgets
self.leftcolumn = Label(self.frame, width=2, text=' ')
self.matrixcolumn = Label(self.frame, width=10, text=' ')
self.chemicalcolumn = Label(self.frame, width=18, text=' ')
self.editcolumn = Label(self.frame, width=1, text=' ')
self.isothermcolumn = Label(self.frame, width=20, text=' ')
self.rightcolumn = Label(self.frame, width=2, text=' ')
self.coef1labelcolumn = Label(self.frame, width=7, text=' ')
self.coef1valuecolumn = Label(self.frame, width=3, text=' ')
self.coef1unitcolumn = Label(self.frame, width=10, text=' ')
self.coef2labelcolumn = Label(self.frame, width=7, text=' ')
self.coef2valuecolumn = Label(self.frame, width=3, text=' ')
self.coef2unitcolumn = Label(self.frame, width=10, text=' ')
self.coef3labelcolumn = Label(self.frame, width=7, text=' ')
self.coef3valuecolumn = Label(self.frame, width=3, text=' ')
self.coef3unitcolumn = Label(self.frame, width=10, text=' ')
self.instructions = Label(
self.frame,
text=
'Please input the sorption isotherms and corresponding coefficients for chemicals in each layer:',
justify='left')
self.matrixlabel = Label(self.frame, text='Matrix')
self.chemicallabel = Label(self.frame, text='Chemical')
self.isothermlabel = Label(self.frame, text='Sorption Isotherm')
self.coeflabel = Label(self.frame, text='Isotherm coefficients')
self.kineticlabel = Label(self.frame, text='Kinetic options')
self.blank1 = Label(self.frame, text=' ')
#show the title widgets on the grid
self.instructions.grid(row=0,
column=0,
columnspan=14,
padx=2,
pady=8,
sticky='W')
self.leftcolumn.grid(row=1, column=0, padx=1, pady=1, sticky='WE')
self.matrixcolumn.grid(row=1, column=1, padx=1, pady=1, sticky='WE')
self.chemicalcolumn.grid(row=1, column=2, padx=1, pady=1, sticky='WE')
self.editcolumn.grid(row=1, column=3, padx=1, pady=1, sticky='WE')
self.isothermcolumn.grid(row=1, column=4, padx=1, pady=1, sticky='WE')
self.coef1labelcolumn.grid(row=1,
column=5,
padx=1,
pady=1,
sticky='WE')
self.coef1valuecolumn.grid(row=1,
column=6,
padx=1,
pady=1,
sticky='WE')
self.coef1unitcolumn.grid(row=1, column=7, padx=1, pady=1, sticky='WE')
self.coef2labelcolumn.grid(row=1,
column=8,
padx=1,
pady=1,
sticky='WE')
self.coef2valuecolumn.grid(row=1,
column=9,
padx=1,
pady=1,
sticky='WE')
self.coef2unitcolumn.grid(row=1,
column=10,
padx=1,
pady=1,
sticky='WE')
self.coef3labelcolumn.grid(row=1,
column=11,
padx=1,
pady=1,
sticky='WE')
self.coef3valuecolumn.grid(row=1,
column=12,
padx=1,
pady=1,
sticky='WE')
self.coef3unitcolumn.grid(row=1,
column=13,
padx=1,
pady=1,
sticky='WE')
self.rightcolumn.grid(row=1, column=14, padx=1, pady=1, sticky='WE')
self.matrixlabel.grid(row=2, column=1, padx=1, pady=1, sticky='WE')
self.chemicallabel.grid(row=2, column=2, padx=1, pady=1, sticky='WE')
self.isothermlabel.grid(row=2, column=4, padx=1, pady=1, sticky='WE')
self.coeflabel.grid(row=2,
column=5,
padx=1,
pady=1,
sticky='WE',
columnspan=6)
self.kineticlabel.grid(row=2,
column=11,
padx=1,
pady=1,
sticky='WE',
columnspan=3)
#show the layer and chemical widgets on the grid
row = 3
for component in self.components:
component.sorptionwidgets(self.frame, row=row)
for chemical in self.chemicals:
if chemical.soluable == 1:
chemical.sorptionwidgets(self.frame, row=row)
self.sorptions[component.name][
chemical.name].propertieswidgets(
self.frame, row, self.master, self.timeunit,
self.concunit)
row = row + 1
self.focusbutton = None
self.blank1.grid(row=row)
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 error_check(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
error = 0
return error
def warning(self):
self.focusbutton = None
self.master.tk.lift()
class ChemicalEditor:
"""Gets the contaminant properties."""
def __init__(self, master, system, chemical, chemicals, database,
editflag):
"""Constructor method. Defines the parameters to be obtained in this window."""
self.master = master
self.fonttype = system.fonttype
self.version = system.version
self.superfont = get_superfont(self.fonttype) #superscript font
self.frame = Frame(master.frame)
self.tframe = Frame(master.tframe)
self.bframe = Frame(master.bframe)
self.system = system
self.database = database
self.top = None #flag for existence of toplevel#
self.tkfont = tkFont.Font(font=system.fonttype)
self.soluableflag = chemical.soluable
self.editflag = editflag
self.cancelflag = 0
self.chemicals = chemicals
self.diffunit = system.diffunit
self.diffunits = system.diffunits
if self.soluableflag == 1:
self.database = database
self.chemical = chemical
self.name = StringVar(value='')
self.formula = StringVar(value='')
self.MW = DoubleVar(value=0)
self.temp = DoubleVar(value=0)
self.Dw = DoubleVar(value=0)
self.Ref = StringVar(value='')
self.Koc = DoubleVar(value=0)
self.Kdoc = DoubleVar(value=0)
self.Kf = DoubleVar(value=0)
self.N = DoubleVar(value=0)
if editflag == 1: #Detemine whether the chemical is added or edited
self.name.set(self.chemical.name)
self.formula.set(self.chemical.formula)
self.MW.set(self.chemical.MW)
self.temp.set(self.chemical.temp)
self.Dw.set(self.chemical.Dw)
self.Koc.set(self.chemical.Koc)
self.Kdoc.set(self.chemical.Kdoc)
self.Ref.set(self.chemical.Ref)
self.Kf.set(self.chemical.Kf)
self.N.set(self.chemical.N)
else:
self.name = StringVar(value=' ')
self.formula = StringVar(value=' ')
self.MW = DoubleVar(value=100)
self.temp = DoubleVar(value=0)
self.Dw = DoubleVar(value=0)
self.Koc = DoubleVar(value=0)
self.Kdoc = DoubleVar(value=0)
self.Kf = DoubleVar(value=0)
self.N = DoubleVar(value=0)
if editflag == 1: #Detemine whether the chemical is added or edited
self.name.set(chemical.name)
def make_widgets(self):
"""Make the widgets for the window."""
self.bgcolor = self.frame.cget('bg')
self.instructions = Label(
self.tframe,
text=
' Please provide the following chemical properties: '
)
self.blankcolumn = Label(self.frame, text=' ', width=2)
self.namecolumn = Label(self.frame, text=' ', width=20)
self.MWcolumn = Label(self.frame, text=' ', width=12)
self.tempcolumn = Label(self.frame, text=' ', width=10)
self.Dwcolumn = Label(self.frame, text=' ', width=18)
self.Koccolumn = Label(self.frame, text=' ', width=18)
self.Kdoccolumn = Label(self.frame, text=' ', width=18)
self.Refcolumn = Label(self.frame, text=' ', width=20)
self.Rightcolumn = Label(self.frame, text=' ', width=2)
self.namelabel = Label(self.frame, text='Chemical name')
self.MWlabel = Label(self.frame, text='Molecular\n weight')
self.templabel = Label(self.frame, text='Temperature')
self.Dwlabel = Label(self.frame,
text='Molecular diffusivity\n in water')
self.Koclabel = Label(self.frame,
text='Organic carbon\n partition coefficient')
self.Kdoclabel = Label(
self.frame,
text='Dissolved organic carbon\n partition coefficient')
self.Reflabel = Label(self.frame, text='Reference')
self.tempunits = Label(self.frame, text=unichr(176) + 'C')
self.Dwunits = Label(self.frame, text=self.diffunit)
self.Kocunits = Label(self.frame, text='log(L/kg)')
self.Kdocunits = Label(self.frame, text='log(L/kg)')
self.importbutton = Button(self.frame,
text='From Database',
width=20,
command=self.importchemical)
self.okbutton = Button(self.frame,
text='OK',
width=20,
command=self.OK)
self.cancelbutton = Button(self.frame,
text='Cancel',
width=20,
command=self.Cancel)
self.blank1 = Label(self.frame, text=' ')
self.blank2 = Label(self.frame, text=' ')
#show the widgets on the grid
self.instructions.grid(row=0,
column=0,
columnspan=6,
padx=8,
sticky='W')
self.blankcolumn.grid(row=1, column=0, sticky='WE', padx=1, pady=1)
self.namecolumn.grid(row=1, column=1, sticky='WE', padx=1, pady=1)
self.MWcolumn.grid(row=1, column=2, sticky='WE', padx=1, pady=1)
self.tempcolumn.grid(row=1, column=3, sticky='WE', padx=1, pady=1)
self.Dwcolumn.grid(row=1, column=4, sticky='WE', padx=1, pady=1)
self.Koccolumn.grid(row=1, column=5, sticky='WE', padx=1, pady=1)
self.Kdoccolumn.grid(row=1, column=6, sticky='WE', padx=1, pady=1)
self.Refcolumn.grid(row=1, column=7, sticky='WE', padx=1, pady=1)
self.Rightcolumn.grid(row=1, column=8, sticky='WE', padx=1, pady=1)
self.namelabel.grid(row=2, column=1, sticky='WE', padx=1, pady=1)
self.MWlabel.grid(row=2, column=2, sticky='WE', padx=1, pady=1)
self.templabel.grid(row=2, column=3, sticky='WE', padx=1, pady=1)
self.Dwlabel.grid(row=2, column=4, sticky='WE', padx=1, pady=1)
self.Koclabel.grid(row=2, column=5, sticky='WE', padx=1, pady=1)
self.Kdoclabel.grid(row=2, column=6, sticky='WE', padx=1, pady=1)
self.Reflabel.grid(row=2, column=7, sticky='WE', padx=1, pady=1)
self.tempunits.grid(row=3, column=3, sticky='WE', padx=1, pady=1)
self.Dwunits.grid(row=3, column=4, sticky='WE', padx=1, pady=1)
self.Kocunits.grid(row=3, column=5, sticky='WE', padx=1, pady=1)
self.Kdocunits.grid(row=3, column=6, sticky='WE', padx=1, pady=1)
if self.soluableflag == 1:
if self.editflag == 0:
self.namewidget = Entry(self.frame,
width=18,
justify='center',
textvariable=self.name)
self.tempwidget = Entry(self.frame,
width=10,
justify='center',
textvariable=self.temp)
else:
self.namewidget = Label(self.frame,
width=18,
justify='center',
textvariable=self.name)
self.tempwidget = Label(self.frame,
width=10,
justify='center',
textvariable=self.temp)
self.Dwwidget = Entry(self.frame,
width=16,
justify='center',
textvariable=self.Dw)
self.MWwidget = Entry(self.frame,
width=10,
justify='center',
textvariable=self.MW)
self.Kocwidget = Entry(self.frame,
width=16,
justify='center',
textvariable=self.Koc)
self.Kdocwidget = Entry(self.frame,
width=16,
justify='center',
textvariable=self.Kdoc)
self.Refwidget = Entry(self.frame,
width=18,
justify='center',
textvariable=self.Ref)
self.namewidget.grid(row=4, column=1, padx=2, pady=1)
self.MWwidget.grid(row=4, column=2, padx=2, pady=1)
self.tempwidget.grid(row=4, column=3, padx=2, pady=1)
self.Dwwidget.grid(row=4, column=4, padx=2, pady=1)
self.Kocwidget.grid(row=4, column=5, padx=2, pady=1)
self.Kdocwidget.grid(row=4, column=6, padx=2, pady=1)
self.Refwidget.grid(row=4, column=7, padx=2, pady=1)
else:
self.namewidget = Entry(self.frame,
width=18,
justify='center',
textvariable=self.name)
self.Dwwidget = Label(self.frame,
width=16,
justify='center',
text='Not applicable')
self.Kocwidget = Label(self.frame,
width=16,
justify='center',
text='Not applicable')
self.Kdocwidget = Label(self.frame,
width=16,
justify='center',
text='Not applicable')
self.namewidget.grid(row=4, column=1, padx=2, pady=1)
self.Dwwidget.grid(row=4, column=3, padx=2, pady=1)
self.Kocwidget.grid(row=4, column=4, padx=2, pady=1)
self.Kdocwidget.grid(row=4, column=5, padx=2, pady=1)
self.blank1.grid(row=5)
if self.editflag == 0: self.importbutton.grid(row=6, columnspan=11)
self.okbutton.grid(row=7, columnspan=11)
self.cancelbutton.grid(row=8, columnspan=11)
self.blank2.grid(row=9)
self.okbutton.bind('<Return>', self.OK)
self.focusbutton = self.okbutton
if int((self.tkfont.measure(self.Ref.get()) + 10) * 1.1424219345 /
8) + 1 > 18:
self.Refwidget.config(
width=int((self.tkfont.measure(self.Ref.get()) + 10) *
1.1424219345 / 8) + 3)
if int((self.tkfont.measure(self.name.get()) + 10) * 1.1424219345 /
8) + 1 > 18:
self.namewidget.config(
width=int((self.tkfont.measure(self.name.get()) + 10) *
1.1424219345 / 8) + 3)
self.master.geometry()
self.master.center()
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 updatechemical(self, window):
self.name.set(window.name.get())
self.formula.set(window.formula.get())
self.MW.set(window.MW.get())
self.temp.set(window.temp.get())
self.Koc.set(window.Koc.get())
self.Kdoc.set(window.Kdoc.get())
self.Ref.set(window.Ref.get())
self.Kf.set(window.Kf.get())
self.N.set(window.N.get())
if self.diffunit == self.diffunits[0]: self.Dw.set(window.Dw.get())
elif self.diffunit == self.diffunits[1]:
Dw = window.Dw.get() * 86400 * 365
if Dw > 1: self.Dw.set(round(Dw, 2))
else:
i = 2
while Dw / 100 < 0.1**i:
i = i + 1
self.Dw.set(round(Dw, i))
self.frame.update()
if int((self.tkfont.measure(self.Ref.get()) + 10) * 1.1424219345 /
8) + 1 > 20:
self.Refwidget.config(
width=int((self.tkfont.measure(self.Ref.get()) + 10) *
1.1424219345 / 8) + 3)
if int((self.tkfont.measure(self.name.get()) + 10) * 1.1424219345 /
8) + 1 > 20:
self.namewidget.config(
width=int((self.tkfont.measure(self.name.get()) + 10) *
1.1424219345 / 8) + 3)
self.master.geometry()
self.master.center()
def OK(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the total number of chemicals in database."""
if self.editflag == 0:
check = [(chemical.name == self.name.get())
for chemical in self.chemicals[0:-1]]
else:
check = [0]
if self.master.window.top is not None: self.master.open_toplevel()
elif sum(check) >= 1: self.chemicals_error()
elif self.name.get() == '' or self.name.get().count(' ') == len(
self.name.get()):
self.name_error()
elif self.Dw.get() == 0:
self.Dw_error()
else:
self.master.tk.quit()
def chemicals_error(self):
tkmb.showerror(title=self.version,
message='This chemical has already been selected!')
self.focusbutton = self.okbutton
self.master.tk.lift()
def name_error(self):
tkmb.showerror(title=self.version,
message='Please input the name for the chemical!')
self.focusbutton = self.okbutton
self.master.tk.lift()
def Dw_error(self):
tkmb.showerror(
title=self.version,
message=
'The diffusivity of the chemical can not be zero, please correct!')
self.focusbutton = self.okbutton
self.master.tk.lift()
def Cancel(self):
try:
self.name.set(self.chemical.name)
self.MW.set(self.chemical.MW.get())
self.formula.set(self.chemical.formula.get())
self.temp.set(self.chemical.temp.get())
self.Dw.set(self.chemical.Dw.get())
self.Koc.set(self.chemical.Koc.get())
self.Kdoc.set(self.chemical.Kdoc.get())
self.Ref.set(self.chemical.Ref.get())
self.Kf.set(self.chemical.Kf.get())
self.N.set(self.chemical.N.get())
except:
self.cancelflag = 1
if self.master.window.top is not None: self.master.open_toplevel()
else: self.master.tk.quit()
class TauEstimator:
"""Used to make a window to compute the value of "kbl" for Rivers."""
def __init__(self, master, version, fonttype, timeunit, lengthunit,
chemicals, taucoefs, BCs):
"""Constructor method."""
self.master = master
self.version = version
self.fonttype = fonttype
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.superfont = get_superfont(self.fonttype)
self.Decays = ['None', 'First order']
self.Evaps = ['None', 'First order']
self.top = None
self.cancelflag = 0
self.timeunit = timeunit
self.lengthunit = lengthunit
self.Q = DoubleVar(value=taucoefs['Q'])
self.V = DoubleVar(value=taucoefs['V'])
self.h = DoubleVar(value=taucoefs['h'])
self.Qevap = DoubleVar(value=taucoefs['Qevap'])
self.doc = DoubleVar(value=taucoefs['DOC'])
self.Decay = StringVar(value=taucoefs['Decay'])
self.Evap = StringVar(value=taucoefs['Evap'])
self.chemicals = chemicals
self.kdecays = []
self.kevaps = []
for chemical in self.chemicals:
self.kdecays.append(BCs[chemical.name].kdecay)
self.kevaps.append(BCs[chemical.name].kevap)
def make_widgets(self):
"""Makes the widgets for the window."""
self.bgcolor = self.frame.cget('bg')
self.text = Label(
self.frame,
text=
'Please provide the information to estimate the retention time of the overlying water body:'
)
self.blank1 = Label(self.frame, text='')
self.blank2 = Label(self.frame, text='')
self.blank3 = Label(self.frame, text='')
self.blank4 = Label(self.frame, text='')
self.leftcolumn = Label(self.frame, text=' ', width=15)
self.paracolumn = Label(self.frame, text=' ', width=10)
self.valuecolumn = Label(self.frame, text=' ', width=15)
self.unitcolumn = Label(self.frame, text=' ', width=10)
self.rightcolumn = Label(self.frame, text=' ', width=10)
self.paralabel = Label(self.frame, text='Parameters')
self.valuelabel = Label(self.frame, text='Values')
self.unitlabel = Label(self.frame, text='Units')
self.qlabel = Label(self.frame, text='Inflow rate:')
self.qentry = Entry(self.frame,
textvariable=self.Q,
width=10,
justify='center')
self.qunits = Label(self.frame, text='m' + u'\u00B3/' + self.timeunit)
self.Vlabel = Label(self.frame, text='Water body volume:')
self.Ventry = Entry(self.frame,
textvariable=self.V,
width=10,
justify='center')
self.Vunits = Label(self.frame, text='m' + u'\u00B3')
self.hlabel = Label(self.frame, text='Water body depth:')
self.hentry = Entry(self.frame,
justify='center',
width=10,
textvariable=self.h)
self.hunits = Label(self.frame, text='m')
self.qevaplabel = Label(self.frame, text='Water evaporation rate:')
self.qevapentry = Entry(self.frame,
textvariable=self.Qevap,
width=10,
justify='center')
self.qevapunits = Label(self.frame,
text='m' + u'\u00B3/' + self.timeunit)
self.doclabel = Label(self.frame, text='Water body DOC concentration:')
self.docentry = Entry(self.frame,
textvariable=self.doc,
width=10,
justify='center')
self.docunits = Label(self.frame, text='mg/L')
self.Decaylabel = Label(self.frame, text='Contaminant decay:')
self.Decaywidget = OptionMenu(self.frame,
self.Decay,
*self.Decays,
command=self.editdecay)
self.Evaplabel = Label(self.frame, text='Contaminant evaporation:')
self.Evapwidget = OptionMenu(self.frame,
self.Evap,
*self.Evaps,
command=self.editevap)
self.calcbutton = Button(self.frame,
text='Calculate',
width=20,
command=self.calculate)
self.exitbutton = Button(self.frame,
text='Cancel',
width=20,
command=self.exit)
self.calcbutton.bind('<Return>', self.calculate)
self.exitbutton.bind('<Return>', self.exit)
self.text.grid(row=0, columnspan=6, padx=8)
self.paracolumn.grid(row=1, column=1)
self.valuecolumn.grid(row=1, column=2)
self.unitcolumn.grid(row=1, column=3)
self.paralabel.grid(row=2, column=1, sticky='E')
self.valuelabel.grid(row=2, column=2)
self.unitlabel.grid(row=2, column=3, sticky='W')
self.blank1.grid(row=3)
self.qlabel.grid(row=4, column=1, sticky='E')
self.qentry.grid(row=4, column=2, pady=4)
self.qunits.grid(row=4, column=3, sticky='W')
self.Vlabel.grid(row=5, column=1, sticky='E', pady=2)
self.Ventry.grid(row=5, column=2, pady=4)
self.Vunits.grid(row=5, column=3, sticky='W', pady=2)
self.hlabel.grid(row=6, column=1, sticky='E', pady=2)
self.hentry.grid(row=6, column=2, pady=4)
self.hunits.grid(row=6, column=3, sticky='W', pady=2)
self.qevaplabel.grid(row=7, column=1, sticky='E', pady=2)
self.qevapentry.grid(row=7, column=2, pady=4)
self.qevapunits.grid(row=7, column=3, sticky='W', pady=2)
self.doclabel.grid(row=8, column=1, sticky='E', pady=2)
self.docentry.grid(row=8, column=2, pady=4)
self.docunits.grid(row=8, column=3, sticky='W', pady=2)
self.Decaylabel.grid(row=9, column=1, sticky='E', pady=2)
self.Decaywidget.grid(row=9, column=2, sticky='WE')
self.Evaplabel.grid(row=10, column=1, sticky='E', pady=2)
self.Evapwidget.grid(row=10, column=2, sticky='WE')
self.blank2.grid(row=11)
self.calcbutton.grid(row=12, column=0, columnspan=6, pady=1)
self.exitbutton.grid(row=13, column=0, columnspan=6, pady=1)
self.focusbutton = self.calcbutton
def editdecay(self, event=None):
if self.Decay.get() == 'First order':
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
DecayEditor(self.top, self.version, self.fonttype,
self.timeunit, self.chemicals, self.kdecays))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
for n in range(len(self.chemicals)):
if self.chemicals[n].soluable == 1:
self.kdecays[n] = self.top.window.kdecays[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 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 calculate(self, event=None):
"""Finish and move on."""
self.frame.quit()
def exit(self, event=None):
"""Used to close the window without computing kbl."""
self.cancelflag = 1
self.frame.quit()
class Database:
"""Opens a window for inputing the properties of a compound."""
def __init__(self, master, system, database):
"""The constructor method."""
self.system = system
self.version = system.version
self.fonttype = system.fonttype
self.sfont = get_superfont(self.fonttype)
self.master = master
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.top = None
self.database = database #the database of values
self.exitflag = 0
self.names = [] #a list of the chemical names
solids_list = self.database.keys()
solids_list.sort()
self.solids_list = solids_list
self.solids = []
for solidname in solids_list:
self.solids.append(Solid(solids_list.index(solidname)))
self.solids[-1].read_database(self.database[solidname])
def make_widgets(self):
self.instructions = Label(
self.tframe,
text=
'Please provide the following fundamental properties for the material:\n'
)
self.blankcolumn = Label(self.tframe,
text='',
font='courier 10',
width=1)
self.editcolumn = Label(self.tframe,
text='',
font='courier 10',
width=6)
self.delcolumn = Label(self.tframe,
text='',
font='courier 10',
width=6)
self.numbercolumn = Label(self.tframe,
text='',
font='courier 10',
width=8)
self.namecolumn = Label(self.tframe,
text='',
font='courier 10',
width=18)
self.ecolumn = Label(self.tframe, text='', font='courier 10', width=8)
self.rhocolumn = Label(self.tframe,
text='',
font='courier 10',
width=12)
self.foccolumn = Label(self.tframe,
text='',
font='courier 10',
width=20)
self.tortcolumn = Label(self.tframe,
text='',
font='courier 10',
width=18)
self.sorpcolumn = Label(self.tframe,
text='',
font='courier 10',
width=18)
self.refcolumn = Label(self.tframe,
text='',
font='courier 10',
width=15)
self.numberlabel = Label(self.tframe, text='Number')
self.namelabel = Label(self.tframe, text='Material')
self.elabel = Label(self.tframe, text='Porosity')
self.rholabel = Label(self.tframe, text='Bulk density')
self.foclabel = Label(self.tframe, text='Organic carbon fraction')
self.tortlabel = Label(self.tframe, text='Tortuosity correction')
self.sorplabel = Label(self.tframe, text='Sorption isotherms')
self.reflabel = Label(self.tframe, text='Reference')
self.rhounitlabel = Label(self.tframe, text=u'g/cm\u00B3')
self.botblankcolumn = Label(self.frame,
text='',
font='courier 10',
width=1)
self.boteditcolumn = Label(self.frame,
text='',
font='courier 10',
width=6)
self.botdelcolumn = Label(self.frame,
text='',
font='courier 10',
width=6)
self.botnumbercolumn = Label(self.frame,
text='',
font='courier 10',
width=8)
self.botnamecolumn = Label(self.frame,
text='',
font='courier 10',
width=18)
self.botecolumn = Label(self.frame,
text='',
font='courier 10',
width=8)
self.botrhocolumn = Label(self.frame,
text='',
font='courier 10',
width=12)
self.botfoccolumn = Label(self.frame,
text='',
font='courier 10',
width=20)
self.bottortcolumn = Label(self.frame,
text='',
font='courier 10',
width=18)
self.botsorpcolumn = Label(self.frame,
text='',
font='courier 10',
width=18)
self.botrefcolumn = Label(self.frame,
text='',
font='courier 10',
width=15)
self.addwidget = Button(self.bframe,
text='Add solids',
command=self.addsolid,
width=20)
self.savebutton = Button(self.bframe,
text='Save',
width=20,
command=self.save)
self.importwidget = Button(self.bframe,
text='Import database file',
command=self.importsoliddata,
width=20)
self.cancelbutton = Button(self.bframe,
text='Cancel',
command=self.cancel,
width=20)
self.blank1 = Label(self.bframe, text=' ')
self.blank2 = Label(self.bframe, text=' ')
self.blank3 = Label(self.bframe, text=' ')
#show the widgets on the grid (top to bottom and left to right)
self.instructions.grid(row=0,
column=0,
columnspan=11,
padx=8,
sticky='W',
pady=10)
self.blankcolumn.grid(row=1, column=0, sticky='WE', padx=1, pady=1)
self.editcolumn.grid(row=1, column=1, sticky='WE', padx=1, pady=1)
self.delcolumn.grid(row=1, column=2, sticky='WE', padx=1, pady=1)
self.numbercolumn.grid(row=1, column=3, sticky='WE', padx=1, pady=1)
self.namecolumn.grid(row=1, column=4, sticky='WE', padx=1, pady=1)
self.ecolumn.grid(row=1, column=5, sticky='WE', padx=1, pady=1)
self.rhocolumn.grid(row=1, column=6, sticky='WE', padx=1, pady=1)
self.foccolumn.grid(row=1, column=7, sticky='WE', padx=1, pady=1)
self.tortcolumn.grid(row=1, column=8, sticky='WE', padx=1, pady=1)
self.sorpcolumn.grid(row=1, column=9, sticky='WE', padx=1, pady=1)
self.refcolumn.grid(row=1, column=10, sticky='WE', padx=1, pady=1)
self.numberlabel.grid(row=2, column=3, sticky='WE', padx=1, pady=1)
self.namelabel.grid(row=2, column=4, sticky='WE', padx=1, pady=1)
self.elabel.grid(row=2, column=5, sticky='WE', padx=1, pady=1)
self.rholabel.grid(row=2, column=6, sticky='WE', padx=1, pady=1)
self.foclabel.grid(row=2, column=7, sticky='WE', padx=1, pady=1)
self.tortlabel.grid(row=2, column=8, sticky='WE', padx=1, pady=1)
self.sorplabel.grid(row=2, column=9, sticky='WE', padx=1, pady=1)
self.reflabel.grid(row=2, column=10, sticky='WE', padx=1, pady=1)
self.rhounitlabel.grid(row=3, column=6, sticky='WE', padx=1, pady=1)
self.updatesolids()
#Bind the "return key" to the buttons
self.focusbutton = self.cancelbutton
def updatesolids(self):
self.addwidget.grid_forget()
self.blank1.grid_forget()
self.blank2.grid_forget()
self.botblankcolumn.grid_forget()
self.boteditcolumn.grid_forget()
self.botdelcolumn.grid_forget()
self.botnumbercolumn.grid_forget()
self.botnamecolumn.grid_forget()
self.botecolumn.grid_forget()
self.botrhocolumn.grid_forget()
self.botfoccolumn.grid_forget()
self.bottortcolumn.grid_forget()
self.botsorpcolumn.grid_forget()
self.botrefcolumn.grid_forget()
namelabellength = 18
reflabellength = 15
row = 4
for solid in self.solids:
try:
solid.remove_propertieswidget()
except:
pass
solid.number = self.solids.index(solid) + 1
solid.propertieswidget(self.frame, row, self.master)
row = row + 1
if namelabellength < solid.namelabel.winfo_reqwidth() / 8:
namelabellength = int(solid.namelabel.winfo_reqwidth() / 8) + 1
if reflabellength < solid.reflabel.winfo_reqwidth() / 8:
reflabellength = int(solid.reflabel.winfo_reqwidth() / 8) + 1
self.namecolumn.config(width=namelabellength)
self.botnamecolumn.config(width=namelabellength)
self.refcolumn.config(width=reflabellength)
self.botrefcolumn.config(width=reflabellength)
self.botblankcolumn.grid(row=row,
column=0,
sticky='WE',
padx=1,
pady=1)
self.boteditcolumn.grid(row=row, column=1, sticky='WE', padx=1, pady=1)
self.botdelcolumn.grid(row=row, column=2, sticky='WE', padx=1, pady=1)
self.botnumbercolumn.grid(row=row,
column=3,
sticky='WE',
padx=1,
pady=1)
self.botnamecolumn.grid(row=row, column=4, sticky='WE', padx=1, pady=1)
self.botecolumn.grid(row=row, column=5, sticky='WE', padx=1, pady=1)
self.botrhocolumn.grid(row=row, column=6, sticky='WE', padx=1, pady=1)
self.botfoccolumn.grid(row=row, column=7, sticky='WE', padx=1, pady=1)
self.bottortcolumn.grid(row=row, column=8, sticky='WE', padx=1, pady=1)
self.botsorpcolumn.grid(row=row, column=9, sticky='WE', padx=1, pady=1)
self.botrefcolumn.grid(row=row, column=10, sticky='WE', padx=1, pady=1)
row = row + 1
row = 0
self.blank1.grid(row=row)
row = row + 1
self.blank2.grid(row=row)
row = row + 1
self.addwidget.grid(row=row, columnspan=11)
row = row + 1
self.importwidget.grid(row=row, columnspan=11)
row = row + 1
self.savebutton.grid(row=row, columnspan=11)
row = row + 1
self.cancelbutton.grid(row=row, columnspan=11)
row = row + 1
self.blank3.grid(row=row)
self.savebutton.bind('<Return>', self.save)
self.cancelbutton.bind('<Return>', self.cancel)
self.focusbutton = self.savebutton
self.master.geometry()
def addsolid(self):
self.solids.append(Solid(self.solids[-1].number + 1))
if self.top is None:
self.top = CapSimWindow(master=self.master, buttons=2)
self.top.make_window(
SolidDatabaseEditor(self.top,
self.system,
self.solids[-1],
self.solids,
editflag=0))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.solids[-1].get_solid(self.top.window)
else:
self.solids.remove(self.solids[-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 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 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 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 save(self, event=None):
self.database = self.write_database()
self.exitflag = 1
self.frame.quit()
def cancel(self, event=None):
self.exitflag = 1
self.frame.quit()
def exit(self, event=None):
"""Exit CapSim."""
if tkmb.askyesno(self.version,
'Do you really want to exit CapSim?') == 1:
sys.exit()
def write_database(self):
soliddatabase = {}
for solid in self.solids:
soliddatabase[solid.name] = SolidDatabase(solid.name, solid.number,
solid.e, solid.rho,
solid.foc, solid.tort,
solid.sorp, solid.Ref)
return soliddatabase
class ReactionProperties:
"""Gets the model types for each of the layers in the system."""
def __init__(self, master, system):
"""Constructor method. Used to defines the layers."""
self.master = master
self.system = system
self.version = system.version
self.fonttype = system.fonttype
self.formulatype = system.formulatype
self.superfont = get_superfont(self.fonttype)
self.subfont = get_superfont(self.formulatype)
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.bgcolor = self.frame.cget('bg')
self.top = None
self.chemicals = system.chemicals
if master.master is None: self.defaults = 1
if system.reactions is None: self.reactions = []
else: self.reactions = system.reactions
def make_widgets(self):
"""Makes the widgets for the GUI."""
self.instructions = Label(self.tframe, text = 'Please input the kinetic processes in the system: ')
self.blankcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 1 )
self.editcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 6 )
self.delcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 6 )
self.numbercolumn = Label(self.tframe, text = '', font = 'courier 10', width = 5 )
self.namecolumn = Label(self.tframe, text = '', font = 'courier 10', width = 15)
self.equationcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 20)
self.ratecolumn = Label(self.tframe, text = '', font = 'courier 10', width = 10)
self.endcolumn = Label(self.tframe, text = '', font = 'courier 10', width = 2)
self.numberlabel = Label(self.tframe, text = 'Number')
self.namelabel = Label(self.tframe, text = 'Name')
self.equationlabel = Label(self.tframe, text = 'Chemical equation')
self.ratelabel = Label(self.tframe, text = 'Rate equation')
self.botblankcolumn = Label(self.frame, text = '', font = 'courier 10', width = 1 )
self.boteditcolumn = Label(self.frame, text = '', font = 'courier 10', width = 6 )
self.botdelcolumn = Label(self.frame, text = '', font = 'courier 10', width = 6 )
self.botnumbercolumn = Label(self.frame, text = '', font = 'courier 10', width = 5 )
self.botnamecolumn = Label(self.frame, text = '', font = 'courier 10', width = 15)
self.botequationcolumn = Label(self.frame, text = '', font = 'courier 10', width = 20)
self.botratecolumn = Label(self.frame, text = '', font = 'courier 10', width = 10)
self.botendcolumn = Label(self.frame, text = '', font = 'courier 10', width = 2)
self.addwidget = Button(self.bframe, text = 'Add reactions', command = self.addreaction, width = 20)
self.blank1 = Label (self.bframe, text = ' ')
self.blank2 = Label (self.bframe, text = ' ')
#show the widgets on the grid
self.instructions.grid( row = 0, column = 0, padx = 8, columnspan = 6, sticky = 'W')
self.blankcolumn.grid( row = 1, column = 0, padx = 1, sticky = 'WE', pady = 1)
self.editcolumn.grid( row = 1, column = 1, padx = 1, sticky = 'WE', pady = 1)
self.delcolumn.grid( row = 1, column = 2, padx = 1, sticky = 'WE', pady = 1)
self.numbercolumn.grid( row = 1, column = 3, padx = 4, sticky = 'WE')
self.namecolumn.grid( row = 1, column = 4, padx = 4, sticky = 'WE')
self.equationcolumn.grid( row = 1, column = 5, padx = 4, sticky = 'WE')
self.ratecolumn.grid( row = 1, column = 6, padx = 4, sticky = 'WE')
self.endcolumn.grid( row = 1, column = 7, padx = 4, sticky = 'WE')
self.numberlabel.grid( row = 2, column = 3, padx = 1, sticky = 'WE', pady = 4)
self.namelabel.grid( row = 2, column = 4, padx = 1, sticky = 'WE', pady = 4)
self.equationlabel.grid( row = 2, column = 5, padx = 1, sticky = 'WE', pady = 4)
self.ratelabel.grid( row = 2, column = 6, padx = 1, sticky = 'WE', pady = 4)
self.updatereactions()
def updatereactions(self):
self.addwidget.grid_forget()
self.blank1.grid_forget()
self.blank2.grid_forget()
namelabellength = 15
equationlabellength = 20
ratelabellength = 10
row = 4
for reaction in self.reactions:
try: reaction.remove_propertieswidgets()
except:pass
reaction.number = self.reactions.index(reaction) + 1
reaction.propertieswidgets(self.frame, row, self.master, self.formulatype, self.superfont, self.subfont, self.bgcolor)
row = row + 1
if namelabellength < reaction.namelabel.winfo_reqwidth()/8: namelabellength = int(reaction.namelabel.winfo_reqwidth()/8) + 1
if equationlabellength < reaction.equalabel.winfo_reqwidth()/8: equationlabellength = int(reaction.equalabel.winfo_reqwidth()/8) + 1
if ratelabellength < reaction.ratewidget.winfo_reqwidth()/8: ratelabellength = int(reaction.ratewidget.winfo_reqwidth()/8) + 1
self.botblankcolumn.grid( row = row, column = 0, padx = 1, sticky = 'WE',pady = 1)
self.boteditcolumn.grid( row = row, column = 1, padx = 1, sticky = 'WE',pady = 1)
self.botdelcolumn.grid( row = row, column = 2, padx = 1, sticky = 'WE',pady = 1)
self.botnumbercolumn.grid( row = row, column = 3, padx = 4, sticky = 'WE')
self.botnamecolumn.grid( row = row, column = 4, padx = 4, sticky = 'WE')
self.botequationcolumn.grid( row = row, column = 5, padx = 4, sticky = 'WE')
self.botratecolumn.grid( row = row, column = 6, padx = 4, sticky = 'WE')
self.botendcolumn.grid( row = row, column = 7, padx = 4, sticky = 'WE')
self.namecolumn.config(width = namelabellength)
self.equationcolumn.config(width = equationlabellength)
self.ratecolumn.config(width = ratelabellength)
self.botnamecolumn.config(width = namelabellength)
self.botequationcolumn.config(width = equationlabellength)
self.botratecolumn.config(width = ratelabellength)
row = 0
self.blank1.grid(row = row)
row = row + 1
self.blank2.grid(row = row)
row = row + 1
self.addwidget.grid(row = row, columnspan = 11)
row = row + 1
self.focusbutton = None
self.master.geometry()
self.master.center()
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 editreaction(self, number):
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(ReactionEditor(self.top, self.system, self.reactions[number-1], editflag = 1))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0: self.reactions[number-1].get_reaction(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.updatereactions()
def delreaction(self, number):
if self.top is None:
self.top = CapSimWindow(master = self.master, buttons = 2)
self.top.make_window(ReactionDeleter(self.top, self.system, self.reactions[number-1]))
self.top.tk.mainloop()
if self.top.window.cancelflag == 0:
self.reactions[number-1].remove_propertieswidgets()
self.reactions.remove(self.reactions[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.updatereactions()
