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capsim_object_types.py
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capsim_object_types.py
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#!/usr/bin/env python
#
#This file contains the "CapSimWindow", "Chemical," "System" and "Layer" classes
#that are used to build the sediment capping system that is fed to the capsim
#solver.
import tkMessageBox as tkmb, cPickle as pickle, sys, os, warnings
import _winreg as wreg
if sys.path[0][-3:] == 'zip':
os.chdir(sys.path[0][:-12])
path = sys.path[0][:-12]
warnings.filterwarnings('ignore')
else: path = sys.path[0]
CapSimReg = wreg.ConnectRegistry(None, wreg.HKEY_CURRENT_USER)
CapSimKey = wreg.OpenKey(CapSimReg, r'Software\CapSim')
Filepath =wreg.QueryValueEx(CapSimKey, 'FilePath')[0]
CapSimKey.Close()
from capsim_functions import freundlich, langmuir, millquirk, boudreau, notort, round_to_n
from Tkinter import Tk, Toplevel, Canvas, Frame, Label, Entry, Text, \
Button, Scrollbar, OptionMenu, StringVar, \
DoubleVar, IntVar, FLAT, RAISED, Checkbutton
import tkFont
class AutoScrollbar(Scrollbar):
"""A scrollbar that hides itself if it's not needed (borrowed from
Fredrik Lundh)."""
def set(self, lo, hi):
if float(lo) <= 0 and float(hi) >= 1:
self.grid_remove()
self.exist = 0
else:
self.grid()
self.exist = 1
Scrollbar.set(self, lo, hi)
class CapSimWindow:
"""Makes a CapSim window that looks good and has all the properties it
needs."""
def __init__(self, master = None, buttons = None, left_frame = None):
"""Constructor method. Makes a Tk root window with horizontal and
vertical scrollbars that appear if desired and sets whether it is root
or a toplevel window. The "buttons" keyword can be used to make the
"OK," "Mainmenu," and "Exit" buttons."""
self.master = master
self.buttons = buttons
self.left_frame = left_frame
if master is None: self.tk = Tk()
else: self.tk = Toplevel(master.tk)
self.main = IntVar(value = 0)
self.step = IntVar(value = 0)
self.vscrollbar = AutoScrollbar(self.tk)
self.hscrollbar = AutoScrollbar(self.tk, orient = 'horizontal')
self.canvas = Canvas(self.tk, highlightthickness = 0)
self.canvas.config(xscrollcommand = self.hscrollbar.set, yscrollcommand = self.vscrollbar.set)
self.tframe = Frame(self.tk)
self.frame = Frame(self.canvas)
self.bframe = Frame(self.tk)
self.lframe = Frame(self.tk)
self.vscrollbar.config(command = self.canvas.yview)
self.hscrollbar.config(command = self.canvas.xview)
self.tk.grid_rowconfigure( 1, weight = 1)
self.tk.grid_columnconfigure(0, weight = 1)
self.frame.rowconfigure(1, weight=1)
self.frame.columnconfigure(1, weight=1)
if left_frame == None:
self.tframe.grid(row = 0, column = 0, sticky = 'NWE', columnspan = 2)
self.bframe.grid(row = 3, column = 0, sticky = 'N', columnspan = 2)
self.canvas.grid(row = 1, column = 0, sticky = 'NSWE')
self.vscrollbar.grid(row = 1, column = 1, sticky = 'NS')
self.hscrollbar.grid(row = 2, column = 0, sticky = 'WE')
else:
self.tframe.grid(row = 0, column = 0, sticky = 'NWE', columnspan = 3)
self.bframe.grid(row = 3, column = 0, sticky = 'N', columnspan = 3)
self.lframe.grid(row = 1, column = 0, sticky = 'W')
self.canvas.grid(row = 1, column = 1, sticky = 'NSWE')
self.vscrollbar.grid(row = 1, column = 2, sticky = 'NS')
self.hscrollbar.grid(row = 2, column = 1, sticky = 'WE')
def make_window(self, window):
"""Creates a frame to put the widgets from "window" into later, adds
the appropriate method to the "x" in the window, puts the correct title
and icon, places the widgets from "window" into the frame, centers the
window, and places the focus on the window and the "OK" button."""
self.window = window
self.tk.option_add('*font', self.window.fonttype)
self.tk.title('CapSim ' + self.window.version)
try: self.tk.iconbitmap(path + r'/capsimicon.ico')
except: pass
self.frame.grid(sticky = 'NSWE', row = 0, column = 0)
self.window.tframe.grid(sticky = 'N', row = 0, column = 0)
self.window.frame.grid( sticky = 'NSWE', row = 0, column = 0)
self.window.bframe.grid(sticky = 'N', row = 0, column = 0)
try: self.window.lframe.grid(sticky = 'E', row = 0, column = 0)
except: pass
if self.master is None: self.tk.protocol('WM_DELETE_WINDOW', self.exit)
else: self.tk.protocol('WM_DELETE_WINDOW', self.closetop)
if self.buttons is not None: self.make_buttonframe()
self.window.make_widgets()
self.tk.update()
if self.tframe.bbox('all')[2] > (self.frame.bbox('all')[2] + 16 * self.vscrollbar.exist):
self.canvas.create_window((self.tframe.bbox('all')[2]-self.frame.bbox('all')[2] - 16 * self.vscrollbar.exist)/2, 0, anchor = 'nw', window = self.frame)
elif self.bframe.bbox('all')[2] > (self.frame.bbox('all')[2] + 16 * self.vscrollbar.exist):
self.canvas.create_window((self.bframe.bbox('all')[2]-self.frame.bbox('all')[2] - 16 * self.vscrollbar.exist)/2, 0, anchor = 'nw', window = self.frame)
else:
self.canvas.create_window(0, 0, anchor = 'nw', window = self.frame)
self.geometry()
self.center()
def geometry(self):
"""Makes the window the right size for the frame."""
self.tk.update()
if self.left_frame == None:
self.tk.geometry('%dx%d' % (max(self.tframe.bbox('all')[2], self.frame.bbox('all')[2], self.bframe.bbox('all')[2]),
min(self.tframe.bbox('all')[3] + self.frame.bbox('all')[3] + self.bframe.bbox('all')[3], self.tk.winfo_screenheight()*3/4) ))
else:
self.tk.geometry('%dx%d' % (max(self.tframe.bbox('all')[2], self.frame.bbox('all')[2], self.bframe.bbox('all')[2])+self.lframe.bbox('all')[2],
min(self.tframe.bbox('all')[3] + self.frame.bbox('all')[3] + self.bframe.bbox('all')[3], self.tk.winfo_screenheight()*3/4) ))
self.tk.update()
self.focus()
def center(self):
"""Moves the window into the center of the screen."""
ws = self.tk.winfo_screenwidth()
hs = self.tk.winfo_screenheight()
w = self.tk.winfo_width()
h = self.tk.winfo_height()
if ws > w:
if hs > h: self.tk.geometry('%dx%d+%d+%d' % (w, h, ws / 2. - w / 2., hs / 2. - h / 2))
else: self.tk.geometry('%dx%d+%d+%d' % (w, h, ws / 2. - w / 2., hs))
elif hs > h: self.tk.geometry('%dx%d+%d+%d' % (w, h, ws, hs / 2. - h / 2.))
else: self.tk.geometry('%dx%d+%d+%d' % (w, h, ws, hs))
self.tk.update_idletasks()
self.tk.focus_force()
self.canvas.config(scrollregion = (self.frame.bbox('all')[0],self.frame.bbox('all')[1],self.frame.bbox('all')[2]-17, self.frame.bbox('all')[3]-17))
self.focus()
def make_buttonframe(self):
"""Creates a frame to put the mainmenu, ok, and exit buttons on."""
self.buttonframe = Frame(self.bframe)
self.okbutton = Button(self.buttonframe, text = 'OK', width = 20, command = self.OK)
self.nextbutton = Button(self.buttonframe, text = 'Next', width = 20, command = self.Next)
self.backbutton = Button(self.buttonframe, text = 'Back', width = 20, command = self.Back)
self.mainbutton = Button(self.buttonframe, text = 'Return to Main Menu', width = 20, command = self.mainmenu)
self.exitbutton = Button(self.buttonframe, text = 'Exit CapSim', width = 20, command = self.exit)
self.blank = Label(self.buttonframe, text = '')
if self.master is None and self.buttons == 1: # The window with
self.nextbutton.grid(row = 0, pady = 1)
self.backbutton.grid(row = 1)
self.mainbutton.grid(row = 2, pady = 1)
self.exitbutton.grid(row = 3)
self.blank.grid( row = 4)
elif self.master is None and self.buttons == 2:
self.mainbutton.grid(row = 0, pady = 1, sticky = 'N')
self.exitbutton.grid(row = 1, sticky = 'N')
self.blank.grid( row = 2, sticky = 'N')
elif self.master is None and self.buttons == 3:
self.okbutton.grid( row = 0)
self.mainbutton.grid(row = 1, pady = 1, sticky = 'N')
self.exitbutton.grid(row = 2, sticky = 'N')
self.blank.grid(row = 3, sticky = 'N')
elif self.buttons == 2:
self.blank.grid(row = 1)
else:
self.okbutton.grid(row = 0)
self.blank.grid(row = 1)
#bind the Return key to the buttons
self.nextbutton.bind('<Return>', self.Next)
self.backbutton.bind('<Return>', self.Back)
self.okbutton.bind('<Return>', self.OK)
self.mainbutton.bind('<Return>', self.mainmenu)
self.exitbutton.bind('<Return>', self.exit)
self.buttonframe.grid(row = 1, sticky = 'NS')
def mainloop(self):
"""Points to the correct mainloop method."""
self.tk.mainloop()
def destroy(self):
"""Points to the correct destroy method."""
self.tk.destroy()
def mainmenu(self, event = None):
"""Return to the main menu."""
if self.window.top is not None: self.open_toplevel()
else:
self.main.set(1)
self.tk.quit()
def OK(self, event = None):
"""Finish and move on."""
try: error = self.window.error_check()
except: error = 0
if self.window.top is not None: self.open_toplevel()
elif error == 1: self.window.warning()
else: self.tk.quit()
def Next(self, event = None):
"""Finish and move on."""
try: error = self.window.error_check()
except: error = 0
if self.window.top is not None: self.open_toplevel()
elif error == 1: self.window.warning()
else:
self.step.set(1)
self.tk.quit()
def Back(self, event = None):
"""Finish and move on."""
if self.window.top is not None: self.open_toplevel()
else:
self.step.set(-1)
self.tk.quit()
def exit(self, event = None):
"""Exit CapSim."""
if tkmb.askyesno(self.window.version, 'Do you really want to exit CapSim?') == 1: sys.exit()
if self.window.top is not None: self.window.top.okbutton.focus()
def open_toplevel(self):
"""Forces the user to close any existing toplevel widgets before doing
anything else."""
tkmb.showerror(title = self.window.system.version, message = 'Please ' +
'close the existing parameter input window first.')
self.window.top.tk.focus()
def closetop(self):
"""Sets the toplevel widget to None if it is destoyed."""
self.tk.quit()
self.tk.destroy()
self.master.window.top = None
def focus(self, event = None):
"""Puts the focus on the "OK" button after clicking the OptionMenu."""
if self.window.focusbutton is None:
if self.master is None:
if self.buttons != 3: self.nextbutton.focus_force()
else: self.okbutton.focus_force()
else: self.okbutton.focus_force()
else: self.window.focusbutton.focus_force()
class Chemical:
"""Stores basic properties of a chemical."""
def __init__(self, number, soluable):
"""Constructor method. Uses the "layertype" and the number in the
capping system and the system's chemical properties to set default
values for the parameters."""
self.number = number
self.soluable = soluable
def copy(self):
"""Copy method. Copies everything needed to a new Chemical instance."""
chemical = Chemical(self.number, self.soluable)
chemical.number = self.number
chemical.soluable = self.soluable
chemical.name = self.name
chemical.formula = self.formula
chemical.MW = self.MW
chemical.Ref = self.Ref
chemical.temp = self.temp
chemical.Dw = self.Dw
chemical.Koc = self.Koc
chemical.Kdoc = self.Kdoc
chemical.Kf = self.Kf
chemical.N = self.N
try:
chemical.component_name = self.component_name
chemical.chemical_name = self.chemical_name
except: pass
return chemical
def chemicalwidgets(self, frame, row, master):
"""Makes Tkinter widgets for a layer for an instance of the
"systemproperties" class."""
self.master = master
self.row = row
self.editwidget = Button(frame, width = 5, justify = 'center', text = 'Edit', command = self.editchemical, relief = FLAT, overrelief = RAISED)
self.delwidget = Button(frame, width = 5, justify = 'center', text = 'Delete', command = self.delchemical, relief = FLAT, overrelief = RAISED)
self.numberlabel = Label(frame, width = 2, justify = 'center', text = self.number)
self.namelabel = Label(frame, width = 16, justify = 'center', text = self.name)
self.MWlabel = Label(frame, width = 8, justify = 'center', text = self.MW)
self.templabel = Label(frame, width = 8, justify = 'center', text = self.temp)
self.Dwlabel = Label(frame, width = 10, justify = 'center', text = self.Dw)
self.Koclabel = Label(frame, width = 10, justify = 'center', text = self.Koc)
self.Kdoclabel = Label(frame, width = 10, justify = 'center', text = self.Kdoc)
self.Reflabel = Label(frame, justify = 'center', text = self.Ref)
self.editwidget.grid( row = row, column = 1, padx = 2)
self.delwidget.grid( row = row, column = 2, padx = 2)
self.numberlabel.grid(row = row, column = 3, padx = 2, sticky = 'WE')
self.namelabel.grid( row = row, column = 4, padx = 2, sticky = 'WE')
self.MWlabel.grid( row = row, column = 5, padx = 2, sticky = 'WE')
self.templabel.grid( row = row, column = 6, padx = 2, sticky = 'WE')
self.Dwlabel.grid ( row = row, column = 7, padx = 2)
self.Koclabel.grid ( row = row, column = 8, padx = 2)
self.Kdoclabel.grid( row = row, column = 9, padx = 2)
self.Reflabel.grid( row = row, column = 10, padx = 1)
def editchemical(self):
self.master.window.editchemical(self.number)
def delchemical(self):
self.master.window.deletechemical(self.number)
def sorptionwidgets(self, master, row):
"""Makes Tkinter widgets for a layer for an instance of the
"LayerModels" class."""
self.sorptionwidget = Label(master, text ='%s' %(self.name))
self.sorptionwidget.grid (row =row, column = 2, padx = 4, pady = 2, sticky = 'WE')
def ICwidgets(self, frame, column):
self.ICwidget = Label(frame, text =self.name, justify = 'center')
self.ICwidget.grid(row = 2, column = column, padx = 4, pady = 1, sticky ='WE')
def get_chemical(self, chemicaleditor):
self.name = chemicaleditor.name.get()
self.MW = chemicaleditor.MW.get()
self.formula = chemicaleditor.formula.get()
self.Ref = chemicaleditor.Ref.get()
self.temp = chemicaleditor.temp.get()
self.Dw = chemicaleditor.Dw.get()
self.Koc = chemicaleditor.Koc.get()
self.Kdoc = chemicaleditor.Kdoc.get()
self.Kf = chemicaleditor.Kf.get()
self.N = chemicaleditor.N.get()
def remove_chemicalwidgets(self):
self.numberlabel.grid_forget()
self.namelabel.grid_forget()
self.MWlabel.grid_forget()
self.templabel.grid_forget()
self.Dwlabel.grid_forget()
self.Koclabel.grid_forget()
self.Kdoclabel.grid_forget()
self.Reflabel.grid_forget()
self.editwidget.grid_forget()
self.delwidget.grid_forget()
self.row = 0
self.master = 0
self.numberlabel = 0
self.namelabel = 0
self.MWlabel = 0
self.templabel = 0
self.Dwlabel = 0
self.Koclabel = 0
self.Kdoclabel = 0
self.Reflabel = 0
self.editwidget = 0
self.delwidget = 0
self.soluablelabel= 0
def remove_sorptionwidgets(self):
"""Removes all the Tkinter property widgets from the layer.
Necessary to pickle the System instance."""
self.sorptionwidget.grid_forget()
self.sorptionwidget = 0
def remove_ICwidgets(self):
"""Removes all the Tkinter property widgets from the layer.
Necessary to pickle the System instance."""
self.ICwidget.grid_forget()
self.ICwidget = 0
def get_solid_chemical(self, component_name, chemical_name, MW):
self.name = component_name + '_' + chemical_name
self.component_name = component_name
self.chemical_name = chemical_name
self.MW = MW
self.formula = 0
self.temp = 0
self.Dw = 0
self.Koc = 0
self.Kdoc = 0
self.Kf = 0
self.Ref = ''
self.N = 0
class MatrixComponent:
def __init__(self, number):
self.number = number
def copy(self):
component = MatrixComponent(self.number)
component.name = self.name
component.mfraction = self.mfraction
component.fraction = self.fraction
component.e = self.e
component.rho = self.rho
component.foc = self.foc
component.tort = self.tort
component.sorp = self.sorp
return component
def propertieswidgets(self, frame, row, master, database, matrices):
self.master = master
self.database = database
self.material_list = database.keys()
self.material_list.sort()
try: self.mfraction = DoubleVar(value = self.mfraction)
except: self.mfraction = DoubleVar(value = 0.5)
try:
self.name = StringVar(value = self.name)
self.e = DoubleVar(value = self.e)
self.rho = DoubleVar(value = self.rho)
self.foc = DoubleVar(value = self.foc)
except:
e = self.database[self.material_list[0]].e
rho = self.database[self.material_list[0]].rho
foc = self.database[self.material_list[0]].foc
for matrix in matrices[:-1]:
for component in matrix.components:
if component.name == self.material_list[0]:
e = component.e
rho = component.rho
foc = component.foc
self.name = StringVar(value = self.material_list[0])
self.e = DoubleVar(value = e)
self.rho = DoubleVar(value = rho)
self.foc = DoubleVar(value = foc)
self.delwidget = Button(frame, width = 5, justify = 'center', text = 'Delete', command = self.del_component, relief = FLAT, overrelief = RAISED)
if self.material_list.count(self.name.get()) > 0:
self.namewidget = OptionMenu(frame, self.name, *self.material_list, command = self.click_name)
self.namewidget.grid( row = row, column = 2, padx = 2, pady = 1, sticky = 'WE')
else:
self.namewidget = Entry( frame, width = 18, justify = 'center', textvariable = self.name)
self.namewidget.grid( row = row, column = 2, padx = 2, pady = 1)
self.fractionwidget = Entry( frame, width = 10, justify = 'center', textvariable = self.mfraction)
self.elabel = Entry( frame, width = 10, justify = 'center', textvariable = self.e)
self.rhowlabel = Entry( frame, width = 10, justify = 'center', textvariable = self.rho)
self.foclabel = Entry( frame, width = 10, justify = 'center', textvariable = self.foc)
self.delwidget.grid( row = row, column = 1, padx = 2 ,pady = 1)
self.fractionwidget.grid(row = row, column = 3, padx = 2 ,pady = 1)
self.elabel.grid( row = row, column = 4, padx = 2, pady = 1)
self.rhowlabel.grid( row = row, column = 5, padx = 2 ,pady = 1)
self.foclabel.grid ( row = row, column = 6, padx = 2 ,pady = 1)
def click_name(self, event = None):
"""Pulls up the contaminant properties from the database after selecting
a compound."""
self.e.set (self.database[self.name.get()].e)
self.rho.set(self.database[self.name.get()].rho)
self.foc.set(self.database[self.name.get()].foc)
def del_component(self):
self.master.window.del_component(self.number)
def get_component(self):
self.mfraction = self.mfraction.get()
self.name = self.name.get()
self.e = self.e.get()
self.rho = self.rho.get()
self.foc = self.foc.get()
try:
self.tort = self.database[self.name].tort
self.sorp = self.database[self.name].sorp
except:
self.tort = 'Millington & Quirk'
self.sorp = 'Linear--Kd specified'
def remove_propertieswidgets(self):
self.delwidget.grid_forget()
self.fractionwidget.grid_forget()
self.namewidget.grid_forget()
self.elabel.grid_forget()
self.rhowlabel.grid_forget()
self.foclabel.grid_forget()
self.master = 0
self.delwidget = 0
self.namewidget = 0
self.fractionwidget = 0
self.elabel = 0
self.rhowlabel = 0
self.foclabel = 0
def sorptionwidgets(self, master, row):
"""Makes Tkinter widgets for a layer for an instance of the
"LayerModels" class."""
# Title widgets
self.sorptionwidget = Label(master, text ='%s' %(self.name))
self.sorptionwidget.grid (row = row, column = 1, padx = 4, sticky = 'WE')
def remove_sorptionwidgets(self):
self.sorptionwidget.grid_forget()
self.sorptionwidget = 0
def SolidICswidgets(self, frame, row):
self.SolidICswidget = Label(frame, text ='%s' %(self.name), justify = 'center' )
self.SolidICswidget.grid (row = row, column = 2, padx = 4, pady = 2, sticky = 'WE')
def remove_SolidICswidgets(self):
try:
self.SolidICswidget.grid_forget()
self.SolidICswidget = 0
except: pass
class Matrix:
"""Stores solid properties for CapSim."""
def __init__(self, number):
self.number = number
def copy(self):
"""Copy method. Copies everything needed to a new Chemical instance."""
matrix = Matrix(self.number)
matrix.number = self.number
matrix.name = self.name
matrix.components = [component.copy() for component in self.components]
matrix.model = self.model
matrix.e = self.e
matrix.rho = self.rho
matrix.foc = self.foc
return matrix
def propertieswidgets(self, frame, row, master):
self.master = master
self.row = row
materialtext = ''
self.editwidget = Button(frame, width = 5, justify = 'center', text = 'Edit', command = self.editmatrix , relief = FLAT, overrelief = RAISED)
self.delwidget = Button(frame, width = 5, justify = 'center', text = 'Delete', command = self.delmatrix , relief = FLAT, overrelief = RAISED)
self.namelabel = Label( frame, width = 16, justify = 'center', text = self.name)
self.elabel = Label( frame, width = 8, justify = 'center', text = self.e)
self.rhowlabel = Label( frame, width = 10, justify = 'center', text = self.rho)
self.foclabel = Label( frame, width = 10, justify = 'center', text = self.foc)
self.editwidget.grid( row = row, column = 1, padx = 2 ,pady = 1)
self.delwidget.grid( row = row, column = 2, padx = 2 ,pady = 1)
self.namelabel.grid( row = row, column = 3, padx = 2, pady = 1, sticky = 'WE')
self.elabel.grid( row = row, column = 4, padx = 2, pady = 1, sticky = 'WE')
self.rhowlabel.grid( row = row, column = 5, padx = 2 ,pady = 1)
self.foclabel.grid ( row = row, column = 6, padx = 2 ,pady = 1)
def editmatrix(self):
self.master.window.editmatrix(self.number)
def delmatrix(self):
self.master.window.deletematrix(self.number)
def get_matrix(self, matrixeditor):
self.name = matrixeditor.name.get()
self.e = matrixeditor.e.get()
self.rho = matrixeditor.rho.get()
self.foc = matrixeditor.foc.get()
self.model = matrixeditor.model.get()
self.components = matrixeditor.components
def remove_propertieswidgets(self):
self.editwidget.grid_forget()
self.delwidget.grid_forget()
self.namelabel.grid_forget()
self.elabel.grid_forget()
self.rhowlabel.grid_forget()
self.foclabel.grid_forget()
self.row = 0
self.master = 0
self.editwidget = 0
self.delwidget = 0
self.numberlabel = 0
self.namelabel = 0
self.elabel = 0
self.rhowlabel = 0
self.foclabel = 0
class Sorption:
"""Stores basic properties of a sorption for [layernumber]layer and [chemicalnumber] chemical"""
def __init__(self, matrix, chemical, unit = u'\u03BCg/L'):
"""Constructor method. Uses the "sorptiontype" and the number in the
capping system to set default values for the parameters."""
self.chemical = chemical
self.matrix = matrix
self.isotherms = ['Linear--Kd specified', 'Linear--Kocfoc', 'Freundlich', 'Langmuir']
self.kinetics = ['Equilibrium', 'Transient']
self.isotherm = matrix.sorp
self.kinetic = self.kinetics[0]
self.foc = matrix.foc
self.Koc = chemical.Koc
self.Kf = chemical.Kf
self.N = chemical.N
if unit == 'mg/L': self.Kf = round_to_n(chemical.Kf * 1000 ** (self.N-1), 3)
if unit == 'g/L': self.Kf = round_to_n(chemical.Kf * 1000000 ** (self.N-1), 3)
if unit == u'\u03BCmol/L': self.Kf = round_to_n(chemical.Kf * (1./chemical.MW) ** (self.N-1), 3)
if unit == 'mmol/L': self.Kf = round_to_n(chemical.Kf * (1000./chemical.MW) ** (self.N-1), 3)
if unit == 'mol/L': self.Kf = round_to_n(chemical.Kf * (1000000./chemical.MW) ** (self.N-1), 3)
self.K = 0.
self.qmax = 0.
self.b = 0.
self.thalf = 0.
self.ksorp = 0.
self.kdesorp = 0.
self.thalf = 0.
self.cinit = 0.
self.qinit = 0.
try:
self.qmax = chemical.qmax
self.b = chemical.b
except: pass
if chemical.soluable == 0:
self.isotherm = self.isotherms[0]
def copy(self):
sorption = Sorption(self.matrix, self.chemical)
sorption.isotherms = self.isotherms
sorption.isotherm = self.isotherm
sorption.kinetics = self.kinetics
sorption.kinetic = self.kinetic
sorption.foc = self.foc
sorption.K = self.K
sorption.Koc = self.Koc
sorption.Kf = self.Kf
sorption.N = self.N
sorption.qmax = self.qmax
sorption.b = self.b
sorption.thalf = self.thalf
sorption.cinit = self.cinit
sorption.qinit = self.qinit
sorption.ksorp = self.ksorp
sorption.kdesorp = self.kdesorp
return sorption
def propertieswidgets(self, frame, row, master, timeunit, concunit):
self.master = master
self.row = row
bgcolor = frame.cget('bg')
self.editwidget = Button(frame, width = 4, justify = 'center', text = 'Edit', command = self.editsorption, relief = FLAT, overrelief = RAISED)
self.isothermlabel = Label( frame, width = 16, justify = 'center', text = self.isotherm)
self.kinetcilabel = Label( frame, width = 16, justify = 'center', text = self.kinetic)
if self.isotherm == self.isotherms[0]:
self.coef1label = Text(frame, width = 5, height = 1)
self.coef1label.insert('end', u'K')
self.coef1label.insert('end', 'd', 'sub')
self.coef1label.insert('end', ' =')
self.coef1value = Label(frame, text = str(self.K))
self.coef1unit = Label(frame, text = 'L/kg')
self.coef2label = Label(frame, text = ' ')
self.coef2value = Label(frame, text = ' ')
self.coef2unit = Label(frame, text = ' ')
if self.isotherm == self.isotherms[1]:
self.coef1label = Text(frame, width = 5, height = 1)
self.coef1label.insert('end', u'K')
self.coef1label.insert('end', 'oc', 'sub')
self.coef1label.insert('end', ' =')
self.coef1value = Label(frame, text = str(self.Koc))
self.coef1unit = Label(frame, text = 'log(L/kg)')
self.coef2label = Text(frame, width = 4, height = 1)
self.coef2label.insert('end', u'f')
self.coef2label.insert('end', 'oc', 'sub')
self.coef2label.insert('end', ' =')
self.coef2value = Label(frame, text = str(self.matrix.foc))
self.coef2unit = Label(frame, text = ' ')
self.coef2label.tag_config('sub', offset = -2, font = 'Arial 8')
self.coef2label.tag_config('right', justify = 'right')
self.coef2label.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
if self.isotherm == self.isotherms[2]:
self.coef1label = Text(frame, width = 5, height = 1)
self.coef1label.insert('end', u'K')
self.coef1label.insert('end', 'F', 'sub')
self.coef1label.insert('end', ' =')
self.coef1value = Label(frame, text = str(self.Kf))
self.coef1unit = Label(frame, text = concunit[:-1]+'kg/('+ concunit +')'+ u'\u1d3a')
self.coef2label = Label(frame, text = 'N =')
self.coef2value = Label(frame, text = str(self.N))
self.coef2unit = Label(frame, text = ' ')
if self.isotherm == self.isotherms[3]:
self.coef1label = Text(frame, width = 5, height = 1)
self.coef1label.insert('end', u'q')
self.coef1label.insert('end', 'max', 'sub')
self.coef1label.insert('end', ' =')
self.coef1value = Label(frame, text = str(self.qmax))
self.coef1unit = Label(frame, text = concunit[:-1] + 'kg')
self.coef2label = Label(frame, text = 'b =')
self.coef2value = Label(frame, text = str(self.b))
self.coef2unit = Label(frame, text = 'L/'+ concunit[:-2])
self.coef1label.tag_config('sub', offset = -2, font = 'Arial 8')
self.coef1label.tag_config('right', justify = 'right')
self.coef1label.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
if self.kinetic == self.kinetics[0]:
self.coef3label = Label(frame, width = 10, justify = 'center', text = 'Equilibrium')
if self.kinetic == self.kinetics[1]:
self.coef3label = Text(frame, width = 6, height = 1)
self.coef3label.insert('end', u'k')
self.coef3label.insert('end', 'sorp', 'sub')
self.coef3label.insert('end', ' =')
self.coef3value = Label(frame, text = str(self.ksorp))
if self.isotherm == self.isotherms[0] or self.isotherm == self.isotherms[1]:
self.coef3unit = Label(frame, text = timeunit + u'\u207B\u00b9')
if self.isotherm == self.isotherms[2]:
self.coef3unit = Label(frame, text = timeunit + u'\u207B\u00b9')
if self.isotherm == self.isotherms[3]:
self.coef3unit = Label(frame, text = '(' + concunit[:-1] +'kg)'+u'\u207B\u00b9 ' +timeunit + u'\u207B\u00b9')
self.coef3label.tag_config('sub', offset = -2, font = 'Arial 8')
self.coef3label.tag_config('right', justify = 'right')
self.coef3label.config(state = 'disabled', background = bgcolor, borderwidth = 0, spacing3 = 3)
self.editwidget.grid( row = row, column = 3, padx = 0 ,pady = 1)
self.isothermlabel.grid( row = row, column = 4, padx = 0, pady = 3, sticky = 'WE')
self.coef1label.grid ( row = row, column = 5, pady = 3, sticky = 'SE')
self.coef1value.grid ( row = row, column = 6, pady = 3, sticky = 'SWE')
self.coef1unit.grid ( row = row, column = 7, pady = 1, sticky = 'W')
self.coef2label.grid ( row = row, column = 8, pady = 1, sticky = 'E')
self.coef2value.grid ( row = row, column = 9, pady = 1, sticky = 'WE')
self.coef2unit.grid ( row = row, column = 10, pady = 1, sticky = 'W')
if self.kinetic == self.kinetics[0]:
self.coef3label.grid( row = row, column = 11, padx = 0 ,pady = 1, columnspan = 3, sticky = 'WE')
else:
self.coef3label.grid ( row = row, column = 11, pady = 3, sticky = 'SE')
self.coef3value.grid ( row = row, column = 12, pady = 3, sticky = 'WE')
self.coef3unit.grid ( row = row, column = 13, pady = 1, sticky = 'W')
def editsorption(self):
self.master.window.editsorption(self.matrix.name, self.chemical.name)
def get_sorption(self, sorptioneditor):
self.isotherm = sorptioneditor.isotherm.get()
self.kinetic = sorptioneditor.kinetic.get()
self.K = sorptioneditor.K.get()
self.Koc = sorptioneditor.Koc.get()
self.Kf = sorptioneditor.Kf.get()
self.N = sorptioneditor.N.get()
self.qmax = sorptioneditor.qmax.get()
self.b = sorptioneditor.b.get()
self.ksorp = sorptioneditor.ksorp.get()
self.thalf = sorptioneditor.thalf
self.cinit = sorptioneditor.cinit
self.qinit = sorptioneditor.qinit
if self.kinetic == self.kinetics[1]:
if self.isotherm == self.isotherms[0]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/self.K
if self.isotherm == self.isotherms[1]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/(10**self.Koc)/self.matrix.foc
if self.isotherm == self.isotherms[2]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/(self.Kf**(1/self.N))
if self.isotherm == self.isotherms[3]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/self.b
def update_material(self):
if self.kinetic == self.kinetics[1]:
if self.isotherm == self.isotherms[0]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/self.K
if self.isotherm == self.isotherms[1]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/(10**self.Koc)/self.matrix.foc
if self.isotherm == self.isotherms[2]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/(self.Kf**(1/self.N))
if self.isotherm == self.isotherms[3]: self.kdesorp = self.matrix.e*self.ksorp/self.matrix.rho/self.b
def remove_propertieswidgets(self):
self.editwidget.grid_forget()
self.isothermlabel.grid_forget()
self.kinetcilabel.grid_forget()
self.coef1label.grid_forget()
self.coef1value.grid_forget()
self.coef1unit.grid_forget()
self.coef2label.grid_forget()
self.coef2value.grid_forget()
self.coef2unit.grid_forget()
try:
self.coef3label.grid_forget()
self.coef3value.grid_forget()
self.coef3unit.grid_forget()
except: pass
self.master = 0
self.row = 0
self.editwidget = 0
self.isothermlabel = 0
self.kinetcilabel = 0
self.coef1label = 0
self.coef1value = 0
self.coef1unit = 0
self.coef2label = 0
self.coef2value = 0
self.coef2unit = 0
self.coef3label = 0
self.coef3value = 0
self.coef3unit = 0
def get_K(self, component, C, Cmax):
"""Takes the concentration "C" for the chemical "chemical" at
temperature "temp" and returns the partition coefficient at a point."""
if self.kinetic == self.kinetics[0]:
if self.isotherm == self.isotherms[0]:
K = self.K
if self.isotherm == self.isotherms[1]:
K = component.foc * 10**self.Koc
if self.isotherm == self.isotherms[2]:
Fmin = 0.0001
if Cmax < 0.0001: Cmax = 0.0001
if C <= Fmin * Cmax: K = freundlich(Fmin * Cmax, self.Kf, self.N)[0]
else: K = freundlich(C, self.Kf, self.N)[0]
if self.isotherm == self.isotherms[3]:
K = langmuir(C, self.qmax, self.b)[0]
else:
K = 0
return K
def get_NR(self, C, Cmax):
"""Takes the concentration "C" for the chemical "chemical" at
temperature "temp" and returns the partition coefficient at a point."""
if self.isotherm == self.isotherms[2]:
Fmin = 0.0001
if Cmax < 0.0001: Cmax = 0.0001
if C <=Fmin * Cmax: K_diff = freundlich(Fmin * Cmax, self.Kf, self.N)[1]
else: K_diff = freundlich(C, self.Kf, self.N)[1]
if self.isotherm == self.isotherms[3]:
K_diff = langmuir(C, self.qmax, self.b)[1]
return K_diff
def get_q(self, C):
"""Takes the pore water concentrations "C" for the "Chemical" instance
at "temp" and returns the solid-phase concentrations "q." """
if self.kinetic == self.kinetics[0]:
if self.isotherm == self.isotherms[0]:
q = self.K * C
if self.isotherm == self.isotherms[1]:
q = self.foc * 10**self.Koc * C
if self.isotherm == self.isotherms[2]:
if C <= 0:
q = 0
else:
q = freundlich(C, self.Kf, self.N)[0] * C
if self.isotherm == self.isotherms[3]:
q = langmuir(C, self.qmax, self.b)[0] * C
else:
q = 0
return q
class Layer:
"""Stores basic properties of a layer."""
def __init__(self, number):
"""Constructor method. Uses the "layertype" and the number in the
capping system and the system's chemical properties to set default
values for the parameters."""
self.number = number
self.torts = ['Millington & Quirk', 'Boudreau', 'None']
self.ICtypes = ['Uniform', 'Linear']
self.ICtype = self.ICtypes[0]
if number == 0: self.name = 'Deposition'
else: self.name = 'Layer ' + str(number)
self.delz = 0
self.delt = 0
def copy(self):
"""Copy method. Copies everything needed to a new Layer instance."""
layer = Layer(self.number)
layer.name = self.name
layer.number = self.number
layer.type = self.type