class Application(Frame):
def __init__(self, master=None):
Frame.__init__(self, master)
self.padx = 3
self.pady = 3
self.grid()
self.results = []
self.playlists = []
self.vids = []
self.__createWidgets()
def __createWidgets(self):
self.__searchFields()
self.__resultArea()
self.__buttons()
self.__markdownArea()
self.bind('<Return>', self.search_button)
def __buttons(self):
self.resultSelect = Button(text='OK', state=DISABLED)
self.resultSelect.grid(row=5, column=4, sticky=E,
padx=self.padx, pady=self.pady)
self.status = Label(text="", bd=1, relief=SUNKEN, anchor=W)
self.status.grid(row=9, column=0, columnspan=10, sticky=N + E + S + W)
self.__vidButtons()
self.__rmVidButtons()
self.resultSelect.grid_forget()
def __searchFields(self):
Label(text="User", anchor=E).grid(row=0, column=0,
padx=self.padx, pady=self.pady,
sticky=W)
self.user_entry = Entry()
self.user_entry.grid(row=0, column=1, padx=self.padx, pady=self.pady,
sticky=W)
Label(text="Search terms").grid(row=0, column=3,
padx=self.padx, pady=self.pady,
sticky=W)
self.search_terms = Entry()
self.search_terms.grid(row=0, column=4,
padx=self.padx, pady=self.pady,
sticky=W)
Label(text="playlist id").grid(row=1, column=3,
padx=self.padx, pady=self.pady,
sticky=W)
self.playlist_id = Entry()
self.playlist_id.grid(row=1, column=4, padx=self.padx, pady=self.pady,
sticky=W)
self.search_button = Button(text="Search", command=self.__search)
self.search_button.grid(row=2, column=4,
padx=self.padx, pady=self.pady, sticky=E)
def __resultArea(self):
self.result_label = Label(text="Results")
self.result_label.grid(row=2, column=0,
padx=self.padx, pady=self.pady,
sticky=W)
self.resultshowbut = Button(text="View", command=self.__showResults)
self.resultshowbut.grid(row=2, column=1, sticky=W)
self.yScroll = Scrollbar(orient=VERTICAL)
self.xScroll = Scrollbar(orient=HORIZONTAL)
self.listbox = Listbox(xscrollcommand=self.xScroll.set,
yscrollcommand=self.yScroll.set,
selectmode=SINGLE)
self.xScroll.config(command=self.listbox.xview)
self.yScroll.config(command=self.listbox.yview)
def __showResults(self):
self.resultshowbut.config(text="Hide", command=self.__hideResults)
self.yScroll.grid(row=3, column=5, sticky=N + S)
self.xScroll.grid(row=4, column=0, sticky=E + W, columnspan=5)
self.listbox.grid(row=3, column=0, sticky=N + S + E + W, columnspan=5)
self.markdownarea.config(height=10)
def __hideResults(self):
self.resultshowbut.config(text="View", command=self.__showResults)
self.yScroll.grid_forget()
self.xScroll.grid_forget()
self.listbox.grid_forget()
self.markdownarea.config(height=30)
def __markdownArea(self):
self.markdownlabel = Label(text="Markdown")
self.mdyScroll = Scrollbar(orient=VERTICAL)
self.mdxScroll = Scrollbar(orient=HORIZONTAL)
self.markdownarea = Text(wrap=WORD, height=10,
yscrollcommand=self.mdyScroll.set,
xscrollcommand=self.mdxScroll.set)
self.copymarkdown = Button(text="Copy To Clipboard",
command=self.__copyMarkdown)
self.mdxScroll.config(command=self.markdownarea.xview)
self.mdyScroll.config(command=self.markdownarea.yview)
def __vidButtons(self):
self.modtitle = Button(text='Modify titles', command=self.__modTitles)
#self.modtitle.grid(row=5, column=0, sticky=W, columnspan=2,
# padx=self.padx, pady=self.pady)
self.getcaps = Button(text="Get captions", command=self.__getCaptions)
self.getcaps.grid(row=5, column=2, columnspan=3, sticky=E,
padx=self.padx, pady=self.pady)
def __rmVidButtons(self):
self.modtitle.grid_remove()
self.getcaps.grid_remove()
self.bind('<Return>', self.search_button)
def __search(self):
user = self.user_entry.get()
playlist = self.playlist_id.get()
searchterms = self.search_terms.get()
self.__showResults()
self.resultSelect.config(state=DISABLED)
self.__rmVidButtons()
self.__rmMarkdown()
if not self.__validparams(user, searchterms, playlist):
return False
if len(playlist) > 0:
self.__searchPlaylist(playlist)
return
self.__searchUser(user, searchterms)
def __showMarkdown(self):
self.markdownlabel.grid(row=5, column=0,
padx=self.padx, pady=self.pady,
sticky=W)
self.markdownarea.grid(row=6, column=0, columnspan=5,
padx=self.padx, pady=self.pady,
sticky=N + S + E + W)
self.mdyScroll.grid(row=6, column=5, sticky=N + S)
self.mdxScroll.grid(row=7, column=0, sticky=E + W, columnspan=5)
self.copymarkdown.grid(row=8, column=2, columnspan=3, sticky=E,
padx=self.padx, pady=self.pady)
def __rmMarkdown(self):
self.markdownarea.grid_forget()
self.markdownlabel.grid_forget()
self.copymarkdown.grid_forget()
self.mdyScroll.grid_forget()
self.mdxScroll.grid_forget()
def __searchPlaylist(self, playlistid):
self.__getvids(playlistid)
def __searchUser(self, user, searchterms):
self.listbox.delete(0, END)
self.__status("Searching for%splaylists by user \"%s\"" % (
" \"%s\" " % searchterms if len(searchterms) else " ",
user))
self.playlists = []
try:
self.playlists = lib.yt.search.PlaylistSearch(user=user,
search=searchterms).query()
except HTTPError:
self.__status("User %s does not exist at youtube" % user)
return
if self.playlists is None or len(self.playlists) == 0:
self.__status("Search returned no results")
return
self.__populateResults([v['title'] for v in self.playlists])
self.resultSelect.config(command=self.__getVidsFromSelected,
state=NORMAL)
self.__status("")
self.resultSelect.grid(row=5, column=4, sticky=E,
padx=self.padx, pady=self.pady)
def __populateResults(self, values):
self.listbox.delete(0, END)
for i, val in enumerate(values):
self.listbox.insert(i, val)
self.listbox.activate(0)
self.listbox.selection_set(0)
def __getVidsFromSelected(self):
selected = int(self.listbox.curselection()[0])
self.__getvids(self.playlists[selected]['id'])
def __getvids(self, playlistid):
self.playlist_id.delete(0, END)
self.playlist_id.insert(0, playlistid)
self.resultSelect.grid_forget()
title = playlistid
if len(self.playlists) > 0:
for playlist in self.playlists:
if playlist['id'] == playlistid:
title = playlist['title']
break
self.__status("Getting videos for %s" % title)
self.listbox.delete(0, END)
try:
self.vids = lib.yt.search.PlaylistVideoSearch(
id=playlistid).query()
self.__populateResults([v['title'] for v in self.vids])
self.__status("%d Videos found" % len(self.vids))
self.__vidButtons()
self.bind('<Return>', self.getcaps)
except HTTPError:
self.__status("No videos found! is %s a valid playlist?" %
playlistid)
def __status(self, msg):
if len(msg) > 75:
msg = msg[:70] + '...'
self.status.config(text=msg)
self.status.update_idletasks()
def __trackSelect(self, vid, tracks, preftrack=None):
pref = self.__prefAvailable(preftrack, tracks)
if pref is None:
sel = lib.trackSelect.TrackSelect(self, vid=vid,
tracks=tracks)
if sel.result is None:
self.__status("skipped")
tracks = None
else:
tracks = [sel.result[0]]
if sel.preflang is not None:
preftrack['lang'] = sel.preflang
if sel.prefname is not None:
preftrack['name'] = sel.prefname
else:
tracks = pref
return tracks, preftrack
def __getCaptions(self):
preftrack = {'name': None, 'lang': None}
self.listbox.delete(0, END)
self.markdownarea.delete(1.0, END)
self.__showMarkdown()
for i, vid in enumerate(self.vids):
nocapmsg = '[%02d] --NO CAPTIONS-- %s' % (i + 1, vid['title'])
tracks = lib.yt.search.CaptionSearch(id=vid['id']).query()
self.vids[i]['text'] = ''
if len(tracks) == 0:
self.__status('No captions available for %s' %
self.vids[i]['title'])
self.listbox.insert(END, nocapmsg)
elif len(tracks) > 1:
sel = self.__trackSelect(vid, tracks, preftrack)
if sel[0] is None:
msg = '[%02d] --SKIPPED-- %s' % (i + 1, vid['title'])
self.listbox.insert(END, msg)
self.listbox.see(END)
continue
tracks = sel[0]
if len(tracks) == 1:
self.__trackCaps(i, tracks, nocapmsg)
self.__status('')
self.__hideResults()
def __trackCaps(self, vidIndex, tracks, nocapmsg):
i = vidIndex
vid = self.vids[i]
msg = '%02d of %02d Getting captions for %s' % (
i + 1, len(self.vids), self.vids[i]['title'])
self.__status(msg)
self.listbox.insert(END, msg)
self.vids[i]['text'] = lib.markdown.heading(vid['title'])
captions = lib.yt.search.GetCaptions(id=vid['id'],
lang=tracks[0]['lang'],
name=tracks[0]['name'])
captions.query()
captiontext = captions.textOnly()
sleep(0.2)
msg = nocapmsg
if captiontext is not None and len(captiontext) > 0:
self.vids[i]['text'] += (lib.markdown.to_utf8(captiontext)
+ '\n\n')
msg = '[%02d] --DONE-- %s' % (i + 1, vid['title'])
self.listbox.delete(END, END)
self.listbox.insert(END, msg)
self.listbox.see(END)
self.markdownarea.insert(END, self.vids[i]['text'])
self.markdownarea.see(END)
def __prefAvailable(self, preftrack, tracks):
if preftrack['lang'] is None:
return None
pref = None
for track in tracks:
if (track['lang'] == preftrack['lang'] and
track['name'] == preftrack['name']):
return [track]
if track['lang'] == preftrack['lang'] and pref is None:
pref = [track]
return pref
def __modTitles(self):
pass
def __validparams(self, user, searchterms, playlist):
if len(user) == 0 and len(playlist) == 0:
msg = "Either a valid youtube user or playlist id must be given."
tkMessageBox.showwarning("missing information", msg)
return False
if len(user) > 0 and not self.__validstring(user):
msg = "The user given contains invalid characters"
tkMessageBox.showwarning('Bad user', msg)
return False
if len(playlist) > 0 and not self.__validstring(playlist):
msg = "The playlist given contains invalid characters"
tkMessageBox.showwarning('Bad playlist', msg)
return False
if len(searchterms) > 0 and not self.__validstring(searchterms, True):
msg = "The search terms given contain invalid characters"
tkMessageBox.showwarning('Bad search', msg)
return False
return True
def __validstring(self, s, spacechar=False):
validchars = string.letters + string.digits + string.punctuation
if spacechar:
validchars += ' '
for c in s:
if c not in validchars:
return False
return True
def __copyMarkdown(self):
self.markdownarea.clipboard_clear()
self.markdownarea.clipboard_append(self.markdownarea.get(1.0, END))
class RingArrangement(LabelFrame):
def __init__(self, **kwargs):
master = None if 'master' not in kwargs else kwargs['master']
title = None if 'title' not in kwargs else kwargs['title']
rings = [] if 'rings' not in kwargs else kwargs['rings']
LabelFrame.__init__(self, master, text=title)
self.config(padx=20, pady=5)
self.rings = []
self.addbut = Button(text='+', command=self.userAddRing)
for ring in rings:
self.addRing(ring)
self.renderRings()
def showAddBut(self):
self.addbut.grid(in_=self, columnspan=2)
def userAddRing(self):
self.addRing()
self.renderRings()
def addRing(self, val=None):
if val is None:
if len(self.rings) > 0:
val = self.rings[-1].val.get() + 2
else:
val = 10
ring = RingEntry(pos=len(self.rings), master=self)
ring.val.set(val)
self.rings.append(ring)
return ring
def renderRing(self, ring):
self.addbut.grid_forget()
ring.render()
ring.grid(in_=self)
if len(self.rings) > 1:
rmbut = Button(master=self, text='-', padx=3, pady=0,
command=lambda i=ring: self.removeRing(i))
rmbut.grid(row=int(ring.grid_info()['row']), column=1, in_=self)
self.showAddBut()
def renderRings(self):
for ring in self.rings:
self.renderRing(ring)
self.showAddBut()
def removeRing(self, ring):
if len(self.rings) == 1:
return
self.rings.pop(ring.pos())
self.orderRings()
for widget in self.children:
self.children[widget].grid_remove()
self.renderRings()
def orderRings(self):
for pos, ring in enumerate(self.rings):
ring.pos(pos)
def vals(self, ring=None):
if ring is None:
return tuple([int(x.Spin.get()) for x in self.rings])
return int(self.rings[ring].Spin.get())
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 RingArrangement(LabelFrame):
def __init__(self, **kwargs):
master = None if 'master' not in kwargs else kwargs['master']
title = None if 'title' not in kwargs else kwargs['title']
rings = [] if 'rings' not in kwargs else kwargs['rings']
LabelFrame.__init__(self, master, text=title)
self.config(padx=20, pady=5)
self.rings = []
self.addbut = Button(text='+', command=self.userAddRing)
for ring in rings:
self.addRing(ring)
self.renderRings()
def showAddBut(self):
self.addbut.grid(in_=self, columnspan=2)
def userAddRing(self):
self.addRing()
self.renderRings()
def addRing(self, val=None):
if val is None:
if len(self.rings) > 0:
val = self.rings[-1].val.get() + 2
else:
val = 10
ring = RingEntry(pos=len(self.rings), master=self)
ring.val.set(val)
self.rings.append(ring)
return ring
def renderRing(self, ring):
self.addbut.grid_forget()
ring.render()
ring.grid(in_=self)
if len(self.rings) > 1:
rmbut = Button(master=self,
text='-',
padx=3,
pady=0,
command=lambda i=ring: self.removeRing(i))
rmbut.grid(row=int(ring.grid_info()['row']), column=1, in_=self)
self.showAddBut()
def renderRings(self):
for ring in self.rings:
self.renderRing(ring)
self.showAddBut()
def removeRing(self, ring):
if len(self.rings) == 1:
return
self.rings.pop(ring.pos())
self.orderRings()
for widget in self.children:
self.children[widget].grid_remove()
self.renderRings()
def orderRings(self):
for pos, ring in enumerate(self.rings):
ring.pos(pos)
def vals(self, ring=None):
if ring is None:
return tuple([int(x.Spin.get()) for x in self.rings])
return int(self.rings[ring].Spin.get())
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 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 BatchSolver:
"""Displays the progress of CapSim for the simulation."""
def __init__(self, master, systems, type):
"""Constructor method."""
self.sizeflag = 0
self.master = master
self.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.version = systems[0].version
self.fonttype = systems[0].fonttype
self.top = None
self.output = None
self.progress = StringVar(value='') #percent complete
self.remaintime = StringVar(value='') #percent complete
self.abort = IntVar() #abort flag
self.type = type
self.parameters = []
self.outputs = []
for system in systems:
self.parameters.append(Parameters(system)) #input system
def make_widgets(self):
"""Makes widgets for the progress window while CapSim evaluates the
system."""
self.instructions1 = Label(
self.frame, text='Please choose from the following options:')
self.instructions2 = Label(
self.frame,
text=
'Please wait while CapSim simulates transport through the system...'
)
self.blank1 = Label(self.frame, text=' ' * 51)
self.blank2 = Label(self.frame, text=' ' * 51)
self.blank3 = Label(self.frame, text='')
self.blank4 = Label(self.frame, text='')
self.blank5 = Label(self.frame, text='')
self.blank6 = Label(self.frame, text='')
self.progresswidget = Label(self.frame, textvariable=self.progress)
self.timewidget = Label(self.frame, textvariable=self.remaintime)
self.postwidget = Label(self.frame, text='Postprocessing...')
self.startbutton = Button(self.frame,
text='Begin Simulation',
command=self.solve_system,
width=20)
self.abortbutton = Button(self.frame,
text='Abort Run',
command=self.abortrun,
width=20)
#show the widgets on the grid
self.instructions1.grid(row=0, columnspan=2)
self.blank1.grid(row=1, column=0)
self.blank2.grid(row=1, column=1)
self.blank3.grid(row=2)
self.blank4.grid(row=3)
self.startbutton.grid(row=4, columnspan=2, pady=1)
#bind the buttons to the appropriate commands
self.startbutton.bind('<Return>', self.solve_system)
self.abortbutton.bind('<Return>', self.abortrun)
self.focusbutton = self.startbutton
def solve_system(self, event=0):
"""Makes the finite difference matrices to step forward in time, pre-
allocates memory for the output information, clears the "run" screen,
directs the system to the appropriate solver, and grids the "run
progress" information and "abort" button."""
#clear the screen and start the progress bar
self.instructions1.grid_forget()
self.startbutton.grid_forget()
self.instructions2.grid(row=0, columnspan=2)
self.progresswidget.grid(row=2, columnspan=2)
self.blank3.grid(row=3)
self.timewidget.grid(row=4, columnspan=2)
self.blank4.grid(row=5)
self.abortbutton.grid(row=6, columnspan=2)
self.blank5.grid(row=7, columnspan=2)
self.blank6.grid(row=8, columnspan=2)
self.master.canvas.update()
self.master.buttonframe.grid_forget()
self.output = []
start = timer.time() #real time at t = 0
for parameters in self.parameters:
if self.abort.get() <> 1:
if self.type == 'Separate': start = timer.time()
sorp = parameters.sorp
cons = parameters.con
dep = parameters.dep
tidal = parameters.tidal
reac = parameters.reac
bio = parameters.bio
biomix = parameters.biomix
variable_list = ['Cn', 'Fi', 'F', 'q', 'qm', 'W', 'Cw']
Temp = {}
for variable in variable_list:
Temp[variable] = []
#determine the grid, time step size, and set up the equations for the
#finite differencing
parameters.make_uniform_grid()
if bio == 1:
parameters.update_bioturbation()
parameters.make_grid_Dbiops()
Fis, FisL, FisM = parameters.get_initial_component_fractions()
Cn = parameters.get_initial_concentrations()
Fis_plus_1 = {}
FisL_plus_1 = {}
FisM_plus_1 = {}
for component in parameters.components:
Fis_plus_1[component.name] = [
Fi for Fi in Fis[component.name]
]
FisL_plus_1[component.name] = [
Fi for Fi in FisL[component.name]
]
FisM_plus_1[component.name] = [
Fi for Fi in FisM[component.name]
]
parameters.make_matrix_parameter_vectors(Cn, Fis, FisL)
parameters.make_transport_parameter_vectors()
parameters.make_reaction_parameter_vectors(Cn, Fis)
parameters.update_time_dependents()
parameters.make_matrices()
output = Output(parameters)
if output.sizeflag == 1: self.show_size_error()
t = parameters.tstart
n = 0
if sorp == 1 or reac == 1:
parameters.update_nonlinear(Cn, Fis, FisL)
results = output.converter(parameters, Cn, FisL)
for variable in variable_list:
Temp[variable].append(
results[variable_list.index(variable)])
t_start = 0
t_end = 0
while t < (parameters.tfinal_ori + parameters.delt *
(2 + parameters.steps)
): #loop through time to the simulation end
if dep == 1:
Cn, Fis_plus_1, FisL_plus_1, FisM_plus_1 = parameters.update_deposition(
Cn, Fis, FisL, FisM, t + parameters.delt)
parameters.update_time_dependents()
if cons == 1:
parameters.update_consolidation(
t + parameters.delt, parameters.Vdar)
if tidal == 1:
parameters.update_tidal(t + parameters.delt,
parameters.U_plus_1)
if biomix == 1:
parameters.make_components_matrices()
Fis_plus_1, FisL_plus_1, FisM_plus_1 = parameters.get_Fis_plus_1(
Fis_plus_1, FisL_plus_1, FisM_plus_1)
parameters.make_matrix_parameter_vectors(
Cn, Fis_plus_1, FisL_plus_1)
parameters.make_reaction_parameter_vectors(
Cn, Fis_plus_1)
if (cons + tidal + biomix) > 0:
parameters.make_transport_parameter_vectors()
if (cons + tidal + dep + biomix + reac + sorp) > 0:
parameters.make_matrices()
if sorp == 1 or reac == 1:
Cn_plus_1 = parameters.non_linear_solver(
Cn, Fis_plus_1, FisL_plus_1)
else:
Cn_plus_1 = parameters.get_Cn_plus_1(Cn)
#collect the pertinent data from the time step
if parameters.averageoption == 'Instaneous':
if output.n < len(output.times) and round(
output.times[output.n], 8) < round(
t + parameters.delt, 8):
output.store_no_dep(Cn, Cn_plus_1, t,
t + parameters.delt,
parameters, FisL, FisL_plus_1)
else:
new_results = output.converter(parameters, Cn_plus_1,
FisL_plus_1)
for variable in variable_list:
Temp[variable].append(
new_results[variable_list.index(variable)])
if len(Temp['Cn']) >= parameters.steps:
results_plus_1 = []
for variable in variable_list:
results_plus_1.append(Temp[variable][0])
for temp in Temp[variable][1:]:
results_plus_1[
-1] = results_plus_1[-1] + temp
results_plus_1[-1] = results_plus_1[-1] / len(
Temp['Cn'])
t_middle = (t + parameters.delt -
t_end) / 2 + t_end
output.store(t_start, t_middle, parameters,
results, results_plus_1)
Temp = {}
for variable in variable_list:
Temp[variable] = []
results = results_plus_1
t_start = t_middle
t_end = t + parameters.delt
t = t + parameters.delt
Cn = [C for C in Cn_plus_1]
if biomix == 1:
Fis = {}
FisL = {}
FisM = {}
for component in parameters.components:
Fis[component.name] = [
Fi for Fi in Fis_plus_1[component.name]
]
FisL[component.name] = [
Fi for Fi in FisL_plus_1[component.name]
]
FisM[component.name] = [
Fi for Fi in FisM_plus_1[component.name]
]
if self.type == 'Continuous':
self.progress.set(
'Simulation Progress: ' + str(int(t)) + ' / ' +
str(int(self.parameters[-1].tfinal_ori)) + ' ' +
self.parameters[-1].timeunit)
self.remaintime.set(
'Approximate Remaining Time: %d Seconds' %
((timer.time() - start) *
(self.parameters[-1].tfinal - t) /
(t - self.parameters[0].tstart)))
else:
self.progress.set(
'Simulation Progress: ' +
str(self.parameters.index(parameters)) + ' / ' +
str(len(self.parameters)))
self.remaintime.set(
'Approximate Remaining Time: %d Seconds' %
((timer.time() - start) * (parameters.tfinal - t) /
(t)))
self.frame.update()
if self.abort.get() == 1: break
if self.abort.get() <> 1: self.outputs.append(output)
if self.abort.get() == 0: #checks if the abort button was invoked
self.progresswidget.grid_forget()
self.postwidget.grid(row=2, column=0, columnspan=3)
self.frame.update()
self.frame.quit()
def abortrun(self, event=0):
"""Used to abort run."""
if tkmb.askyesno(self.version, 'Do you really want to abort?') == 1:
self.abort.set(1)
self.output = None
self.outputs = None
self.frame.quit()
def show_size_error(self):
"""Shows ann error if the user specifies an overly complicated system
that requires too much memory allocation."""
tkmb.showerror(title='Memory Error',
message='The parameters ' +
'you have specified require too much memory to be ' +
'computed. Please decrease the simulation time ' +
'and/or the transport rates to rectify this issue.')
self.frame.quit()
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 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 Product:
def __init__(self, number):
self.number = number
self.soluable = 1
def copy(self):
product = Product(self.number)
product.coef = self.coef
product.MW = self.MW
product.name = self.name
product.formula = self.formula
product.soluable = self.soluable
return product
def propertieswidgets(self, frame, row, master, chemical_list,
formula_list, MW_list):
self.master = master
self.chemical_list = chemical_list
self.formula_list = formula_list
self.MW_list = MW_list
self.middlelabel = Label(frame, width=8, justify='center', text=' || ')
self.delwidget = Button(frame,
width=5,
justify='center',
text='Delete',
command=self.del_product)
self.namewidget = OptionMenu(frame,
self.name,
*chemical_list,
command=self.click_name)
self.coefwidget = Entry(frame,
width=8,
justify='center',
textvariable=self.coef)
self.fwidget = Entry(frame,
width=8,
justify='center',
textvariable=self.formula,
font='Calibri 11')
self.middlelabel.grid(row=row, column=5, padx=2, pady=1, sticky='WE')
self.delwidget.grid(row=row, column=6, padx=2, pady=1)
self.coefwidget.grid(row=row, column=7, padx=2, pady=1)
self.namewidget.grid(row=row, column=8, padx=2, pady=1, sticky='WE')
self.fwidget.grid(row=row, column=9, padx=2, pady=1, sticky='WE')
def click_name(self, event=None):
self.formula.set(self.formula_list[self.chemical_list.index(
self.name.get())])
self.MW.set(self.MW_list[self.chemical_list.index(self.name.get())])
def del_product(self):
self.master.window.delproduct(self.number)
def get_product(self):
self.coef = self.coef.get()
self.name = self.name.get()
self.formula = self.formula.get()
self.MW = self.MW.get()
def remove_propertieswidgets(self):
self.master = 0
self.delwidget.grid_forget()
self.namewidget.grid_forget()
self.coefwidget.grid_forget()
self.fwidget.grid_forget()
self.middlelabel.grid_forget()
self.delwidget = 0
self.namewidget = 0
self.coefwidget = 0
self.fwidget = 0
self.middlelabel = 0
def get_dynamic_sorption(self, chemical):
self.coef = 1
self.index = 1
self.MW = chemical.MW
self.name = chemical.name
self.formula = ''
self.soluable = 0
def get_dynamic_desorption(self, chemical):
self.coef = 1
self.index = 1
self.name = chemical.name
self.formula = ''
self.MW = chemical.MW
self.soluable = 1
class Reactant:
def __init__(self, number):
self.number = number
self.soluable = 1
def copy(self):
reactant = Reactant(self.number)
reactant.coef = self.coef
reactant.index = self.index
reactant.name = self.name
reactant.formula = self.formula
reactant.MW = self.MW
reactant.soluable = self.soluable
return reactant
def propertieswidgets(self, frame, row, master, chemical_list,
formula_list, MW_list):
self.master = master
self.chemical_list = chemical_list
self.formula_list = formula_list
self.MW_list = MW_list
self.delwidget = Button(frame,
width=5,
justify='center',
text='Delete',
command=self.del_reactant)
self.namewidget = OptionMenu(frame,
self.name,
*chemical_list,
command=self.click_name)
self.coefwidget = Entry(frame,
width=8,
justify='center',
textvariable=self.coef)
self.fwidget = Entry(frame,
width=8,
justify='center',
textvariable=self.formula,
font='Calibri 11')
self.middlelabel = Label(frame, width=8, justify='center', text=' || ')
self.delwidget.grid(row=row, column=1, padx=2, pady=1)
self.coefwidget.grid(row=row, column=2, padx=2, pady=1)
self.namewidget.grid(row=row, column=3, padx=2, pady=1, sticky='WE')
self.fwidget.grid(row=row, column=4, padx=2, pady=1, sticky='WE')
self.middlelabel.grid(row=row, column=5, padx=2, pady=1, sticky='WE')
def click_name(self, event=None):
self.formula.set(self.formula_list[self.chemical_list.index(
self.name.get())])
self.MW.set(self.MW_list[self.chemical_list.index(self.name.get())])
self.master.window.updaterateequation()
def del_reactant(self):
self.master.window.delreactant(self.number)
def get_reactant(self):
self.coef = self.coef.get()
self.name = self.name.get()
self.formula = self.formula.get()
self.MW = self.MW.get()
self.index = self.index.get()
def indexwidgets(self, frame, row):
self.label = Label(frame, text=self.name.get())
self.widget = Entry(frame,
textvariable=self.index,
width=6,
justify='center')
self.label.grid(row=row, column=0, padx=6, pady=2)
self.widget.grid(row=row, column=1, padx=6, pady=2)
def remove_indexwidgets(self):
self.label.grid_forget()
self.widget.grid_forget()
self.label = 0
self.widget = 0
def remove_propertieswidgets(self):
self.delwidget.grid_forget()
self.namewidget.grid_forget()
self.coefwidget.grid_forget()
self.fwidget.grid_forget()
self.middlelabel.grid_forget()
try:
self.label.grid_forget()
self.widget.grid_forget()
except:
pass
self.master = 0
self.delwidget = 0
self.namewidget = 0
self.coefwidget = 0
self.fwidget = 0
self.middlelabel = 0
self.label = 0
self.widget = 0
def get_dynamic_sorption(self, chemical, index):
self.coef = 1
self.index = index
self.name = chemical.name
self.formula = ''
self.MW = chemical.MW
self.soluable = 1
def get_dynamic_desorption(self, chemical, index):
self.coef = 1
self.index = index
self.name = chemical.name
self.formula = ''
self.MW = chemical.MW
self.soluable = 0
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 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()
class MixtureEditor:
"""Gets the contaminant properties."""
def __init__(self, master, system, matrix, matrices, materials, 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.tframe = Frame(master.tframe)
self.frame = Frame(master.frame)
self.bframe = Frame(master.bframe)
self.top = None #flag for existence of toplevel#
self.matrix = matrix
self.matrices = matrices
self.materials = materials
self.mixing_models = ['Linear', 'None']
self.name = StringVar(value='Mixture') #matrix name
self.model = StringVar(value=self.mixing_models[0]) #model name
self.e = DoubleVar() #stores the porosity
self.rho = DoubleVar() #stores the bulk density
self.foc = DoubleVar() #stores the organic carbon fraction
self.components = [] #components
self.editflag = editflag
self.cancelflag = 0
if editflag == 1: #Detemine whether the chemical is added or edited
for component in self.matrix.components:
self.components.append(component.copy())
self.components[-1].name = StringVar(
value=self.components[-1].name)
self.components[-1].mfraction = DoubleVar(
value=self.components[-1].mfraction)
self.name.set(self.matrix.name)
self.model.set(self.matrix.model)
self.e.set(self.matrix.e)
self.rho.set(self.matrix.rho)
self.foc.set(self.matrix.foc)
def make_widgets(self):
"""Make the widgets for the window."""
self.bgcolor = self.frame.cget('bg')
self.instructions = Label(
self.frame,
text=
'Please provides the following information about the mixture: '
)
self.blank1 = Label(self.frame, text=' ', width=15)
self.blankcolumn = Label(self.frame, text=' ', width=1)
self.delcolumn = Label(self.frame, text=' ', width=6)
self.compcolumn = Label(self.frame, text=' ', width=18)
self.fraccolumn = Label(self.frame, text=' ', width=10)
self.ecolumn = Label(self.frame, text=' ', width=10)
self.rhocolumn = Label(self.frame, text=' ', width=15)
self.foccolumn = Label(self.frame, text=' ', width=20)
self.namelabel = Label(self.frame, text='Name')
self.elabel = Label(self.frame, text='Porosity')
self.rholabel = Label(self.frame,
text='Bulk density (' + u'g/cm\u00B3' + ')')
self.foclabel = Label(self.frame, text='Organic carbon fraction')
self.namewidget = Entry(self.frame,
textvariable=self.name,
justify='center',
width=16)
self.ewidget = Entry(self.frame,
textvariable=self.e,
justify='center',
width=10)
self.rhowidget = Entry(self.frame,
textvariable=self.rho,
justify='center',
width=10)
self.focwidget = Entry(self.frame,
textvariable=self.foc,
justify='center',
width=10)
self.complabel = Label(self.frame, text='Component')
self.compflabel = Label(self.frame, text='Weight fraction')
self.compelabel = Label(self.frame, text='Porosity')
self.comprholabel = Label(self.frame,
text='Bulk density (' + u'g/cm\u00B3' + ')')
self.compfoclabel = Label(self.frame, text='Organic carbon fraction')
self.addwidget = Button(self.frame,
text='Add components',
width=20,
command=self.add_components)
self.loadwidget = Button(self.frame,
text='Load components',
width=20,
command=self.load_components)
self.esitimator = Button(self.frame,
text='Estimate Mixture Properties',
width=20,
command=self.estimate_mixture)
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.blank3 = Label(self.frame, text=' ')
#show the widgets on the grid
self.instructions.grid(row=0,
column=0,
columnspan=7,
padx=8,
sticky='W')
self.blank1.grid(row=1, column=0, columnspan=2)
self.blankcolumn.grid(row=3, column=0, sticky='WE', padx=1, pady=1)
self.delcolumn.grid(row=3, column=1, sticky='WE', padx=1, pady=1)
self.compcolumn.grid(row=3, column=2, sticky='WE', padx=1, pady=1)
self.fraccolumn.grid(row=3, column=3, sticky='WE', padx=1, pady=1)
self.ecolumn.grid(row=3, column=4, sticky='WE', padx=1, pady=1)
self.rhocolumn.grid(row=3, column=5, sticky='WE', padx=1, pady=1)
self.foccolumn.grid(row=3, column=6, sticky='WE', padx=1, pady=1)
self.namelabel.grid(row=4, column=2, sticky='WE', padx=4, pady=1)
self.elabel.grid(row=4, column=4, sticky='WE', padx=1, pady=1)
self.rholabel.grid(row=4, column=5, sticky='WE', padx=1, pady=1)
self.foclabel.grid(row=4, column=6, sticky='WE', padx=1, pady=1)
self.namewidget.grid(row=5, column=2, padx=4, pady=1)
self.ewidget.grid(row=5, column=4, padx=1, pady=1)
self.rhowidget.grid(row=5, column=5, padx=1, pady=1)
self.focwidget.grid(row=5, column=6, padx=1, pady=1)
self.blank3.grid(row=6, column=0, columnspan=2)
self.complabel.grid(row=7, column=2, sticky='WE', padx=4, pady=1)
self.compflabel.grid(row=7, column=3, sticky='WE', padx=1, pady=1)
self.compelabel.grid(row=7, column=4, sticky='WE', padx=1, pady=1)
self.comprholabel.grid(row=7, column=5, sticky='WE', padx=1, pady=1)
self.compfoclabel.grid(row=7, column=6, sticky='WE', padx=1, pady=1)
self.update_components()
def update_components(self):
try:
self.addwidget.grid_forget()
self.okbutton.grid_forget()
self.cancelbutton.grid_forget()
except:
pass
row = 8
for component in self.components:
try:
component.get_component()
component.remove_propertieswidgets()
except:
pass
component.number = self.components.index(component) + 1
component.propertieswidgets(self.frame, row, self.master,
self.materials, self.matrices)
row = row + 1
self.blank1.grid(row=row)
row = row + 1
self.addwidget.grid(row=row, columnspan=11)
row = row + 1
self.loadwidget.grid(row=row, columnspan=11)
row = row + 1
self.esitimator.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 add_components(self, event=None):
total_fraction = 0
for component in self.components:
total_fraction = total_fraction + component.mfraction.get()
self.components.append(MatrixComponent(len(self.components) + 1))
self.components[-1].name = ' '
if total_fraction > 1: self.components[-1].mfraction = 0
else: self.components[-1].mfraction = 1 - total_fraction
self.components[-1].fraction = 0
self.components[-1].e = 0
self.components[-1].rho = 0
self.components[-1].foc = 0
self.update_components()
def load_components(self, event=None):
total_fraction = 0
for component in self.components:
total_fraction = total_fraction + component.mfraction.get()
self.components.append(MatrixComponent(len(self.components) + 1))
self.components[-1].name = ' '
if total_fraction > 1: self.components[-1].mfraction = 0
else: self.components[-1].mfraction = 1 - total_fraction
self.update_components()
def del_component(self, number):
self.components[number - 1].remove_propertieswidgets()
self.components.remove(self.components[number - 1])
self.update_components()
def estimate_mixture(self):
total_fraction = 0
for component in self.components:
total_fraction = total_fraction + component.mfraction.get()
if total_fraction <> 1.: self.fraction_error()
else: self.calculate_matrix()
self.frame.update()
self.update_components()
def OK(self, event=None):
"""Finish and move on. Checks that the number chemicals are less than the
total number of chemicals in database."""
components_check = 0
component_list = [component.name for component in self.components]
for name in component_list:
if component_list.count(name) > 1:
components_check = 1
if self.editflag == 0:
check = [(matrix.name == self.name.get())
for matrix in self.matrices[0:-1]]
else:
check = [0]
total_fraction = 0
rho_flag = 0
for component in self.components:
total_fraction = total_fraction + component.mfraction.get()
if component.rho.get() <= 0:
rho_flag = 1
if self.master.window.top is not None: self.master.open_toplevel()
elif sum(check) >= 1 or self.name.get() == '': self.matrix_error()
elif len(self.components) < 2: self.empty_component()
elif total_fraction <> 1.: self.fraction_error()
elif rho_flag == 1: self.rho_error()
elif components_check == 1: self.replicate_error()
else:
self.calculate_matrix()
self.master.tk.quit()
def matrix_error(self):
tkmb.showerror(
title=self.version,
message='This matrix has already been added to the matrix list!')
self.focusbutton = self.okbutton
self.master.tk.lift()
def empty_component(self):
tkmb.showerror(
title=self.version,
message='The mixture must consist at least two components')
self.focusbutton = self.okbutton
self.master.tk.lift()
def fraction_error(self):
tkmb.showinfo(self.version,
'The sum of the weight fraction is not 1, please check')
self.focusbutton = self.okbutton
self.master.tk.lift()
def rho_error(self):
tkmb.showinfo(
self.version,
'The bulk density of a component must be a positive value')
self.focusbutton = self.okbutton
self.master.tk.lift()
def replicate_error(self):
tkmb.showinfo(self.version,
'At least one component is replicated in the mixture')
self.focusbutton = self.okbutton
self.master.tk.lift()
def Cancel(self):
try:
self.name.set(self.matrix.name)
self.model.set(self.matrix.model)
self.e.set(self.matrix.e)
self.rho.set(self.matrix.rho)
self.foc.set(self.matrix.foc)
self.components = self.matrix.components
except:
self.cancelflag = 1
if self.master.window.top is not None: self.master.open_toplevel()
else: self.master.tk.quit()
def calculate_matrix(self):
rho_flag = 0
e = 0
rho = 0
moc = 0
foc = 0
fractions = 0
volume = 0
for component in self.components:
if component.rho.get() <= 0:
rho_flag = 1
if rho_flag == 1:
self.rho_error()
else:
for component in self.components:
component.get_component()
component.remove_propertieswidgets()
volume = volume + component.mfraction / component.rho
for component in self.components:
component.fraction = component.mfraction / component.rho / volume
e = e + component.fraction * component.e
rho = rho + component.fraction * component.rho
moc = moc + component.fraction * component.rho * component.foc
foc = moc / rho
self.e.set(round(e, 6))
self.rho.set(round(rho, 6))
self.foc.set(round(foc, 6))
