cantera/apps/MixMaster/CompositionFrame.py

from Tkinter import *
from Cantera import *

from SpeciesInfo import SpeciesInfo
#from KineticsFrame import KineticsFrame

_CUTOFF = 1.e-15
_ATOL = 1.e-15
_RTOL = 1.e-7

class CompFrame(Frame):
	def __init__(self,master):
		Frame.__init__(self,master)
		self.config(relief=FLAT, bd=4)
		self.top = self.master.top
		self.controls=Frame(self)
		self.hide = IntVar()
		self.hide.set(0)
		self.comp = IntVar()
		self.comp.set(0)
		self.controls.grid(column=1,row=0,sticky=W+E+N)
		self.makeControls()
		mf = self.master
		
	def makeControls(self):
		Radiobutton(self.controls,text='Moles',
			    variable=self.comp,value=0,
			    command=self.show).grid(column=0,row=0,sticky=W)
		Radiobutton(self.controls,text='Mass',
			    variable=self.comp,value=1,
			    command=self.show).grid(column=0,row=1,sticky=W)
		Radiobutton(self.controls,text='Concentration',
			    variable=self.comp,value=2,
			    command=self.show).grid(column=0,row=2,sticky=W)
		Button(self.controls,text='Clear',
		       command=self.zero).grid(column=0,row=4,sticky=W+E)
		Button(self.controls,text='Normalize',
		       command=self.norm).grid(column=0,row=5,sticky=W+E)
		Checkbutton(self.controls,text='Hide Missing\nSpecies',
			    variable=self.hide,onvalue=1,
			    offvalue=0,command=self.master.redo).grid(column=0,
								      row=3,
								      sticky=W)

	def norm(self):
		mf = self.master	
		mf.update()
		
		data = mf.comp
		sum = 0.0
		for sp in data:
			sum += sp
		for i in range(len(mf.comp)):
			mf.comp[i] /= sum
		self.show()

	def set(self):
		c = self.comp.get()
		mix = self.top.mix
		mf = self.master
		g = mix.g
		if c == 0:
			mix.setMoles(mf.comp)

		elif c == 1:
			mix.setMass(mf.comp)			

		elif c == 2:
			pass
		self.top.thermo.setState()
		self.top.kinetics.show()		

	def show(self):
		mf = self.master
		mf.active = self
		c = self.comp.get()
		mix = self.top.mix
		g = mix.g
		if c == 0:
			mf.var.set("Moles")
			#mf.data = spdict(mix.g, mix.moles())
			mf.comp = mix.moles()

		elif c == 1:
			mf.var.set("Mass")
			#mf.data = spdict(mix.g,mix.mass())
			mf.comp = mix.mass()

		elif c == 2:
			mf.var.set("Concentration")
			mf.comp = mix.concentrations()	
			#mf.data = spdict(mix,mix,mf.comp)
			
		for s in mf.variable.keys():
			try:
				k = g.speciesIndex(s)
				if mf.comp[k] > _CUTOFF:
					mf.variable[s].set(mf.comp[k])
				else:
					mf.variable[s].set(0.0)
			except:
				pass

		
			
	def zero(self):
		mf = self.master		
		mf.comp *= 0.0
		self.show()
			

	
class MixtureFrame(Frame):
	def __init__(self,master,top):
		Frame.__init__(self,master)
		self.config(relief=GROOVE, bd=4)
		self.top = top
		self.top.mixframe = self
		self.g = self.top.mix.g		
		#self.scroll = Scrollbar(self)
		self.entries=Frame(self)
		#self.scroll.config(command=self.entries.xview)
		#self.scroll.grid(column=0,row=1)
		self.var = StringVar()
		self.var.set("Moles")
		self.comp = array(self.top.mix.moles())
		self.names = self.top.mix.speciesNames()
		self.nsp = len(self.names)
		#self.data = self.top.mix.moleDict()
		self.makeControls()
		self.makeEntries()
		self.entries.bind('<Double-l>',self.minimize)
		self.ctype = 0
		self.newcomp = 0
		
	def makeControls(self):
		self.c = CompFrame(self)
		#self.k = KineticsFrame(self)
		self.active = self.c
		self.c.grid(column=1,row=0,sticky=E+W+N+S)
		#self.k.grid(column=2,row=0,sticky=E+W+N+S)		

	def update(self):
		self.newcomp = 0
		for s in self.variable.keys():
			k = self.g.speciesIndex(s)
			current = self.comp[k]
			val = self.variable[s].get()
			dv = abs(val - current)
			if dv > _RTOL*abs(current) + _ATOL:
				self.comp[k] = val
				self.newcomp = 1

	def show(self):
		self.active.show()
## 		for k in range(self.nsp):
## 			sp = self.names[k]
## 			if self.comp[k] > _CUTOFF:
## 				self.variable[sp].set(self.comp[k])
## 			else:
## 				self.variable[sp].set(0.0)
			
	def redo(self):
		self.update()
		self.entries.destroy()
		self.entries=Frame(self)
		self.makeEntries()

	def minimize(self,Event=None):
	    self.c.hide.set(1)
	    self.redo()
	    self.c.grid_forget()
	    self.entries.bind("<Double-1>",self.maximize)
	    
	def maximize(self,Event=None):
	    self.c.hide.set(0)
	    self.redo()
	    self.c.grid(column=1,row=0,sticky=E+W+N+S)
	    self.entries.bind("<Double-1>",self.minimize)

	def up(self, x):
		self.update()
		if self.newcomp:
			self.c.set()
			self.c.show()
			self.top.update()
			#thermo.showState()
			#self.top.kinetics.show()
			
	def makeEntries(self):
		self.entries.grid(row=0,column=0,sticky=W+N+S+E)
		self.entries.config(relief=FLAT,bd=4)
		DATAKEYS = self.top.species
		self.variable = {}

		n=0
		ncol = 3
		col = 0
		row = 60

		equil = 0
		if self.top.thermo:
			equil = self.top.thermo.equil.get()
			
		for sp in DATAKEYS:
			s = sp # self.top.species[sp]
			k = s.index
			if row > 25:
				row = 0
				col = col + 2
				l = Label(self.entries,text='Species')
				l.grid(column=col,row=row,sticky=E+W)
				e1 = Entry(self.entries)
				e1.grid(column=col+1,row=row,sticky=E+W)
				e1['textvariable'] = self.var
				e1.config(state=DISABLED)
				e1.config(bg='lightyellow',relief=RIDGE)
				row = row + 1

			spname = s.name
			val = self.comp[k]
			if not self.c.hide.get() or val: showit = 1
			else:  showit = 0

			l=SpeciesInfo(self.entries,species=s,
                                      text=spname,relief=FLAT,justify=RIGHT,
				      fg='darkblue')
			entry1 = Entry(self.entries)
			self.variable[spname] = DoubleVar()
			self.variable[spname].set(self.comp[k])
			entry1['textvariable']=self.variable[spname]
			entry1.bind('<Any-Leave>',self.up)
			if showit:
				l.grid(column= col ,row=row,sticky=E)
				entry1.grid(column=col+1,row=row)
				n=n+1
				row = row + 1
			if equil == 1:
				entry1.config(state=DISABLED,bg='lightgray')
##                 if self.c.hide.get():
## 		    b=Button(self.entries,height=1,command=self.maximize)
## 		else:
## 		    b=Button(self.entries,command=self.minimize)
##                 b.grid(column=col,columnspan=2, row=row+1)