356 lines
9.6 KiB
Python
356 lines
9.6 KiB
Python
import os, math
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from Tkinter import *
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from Cantera import *
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from SpeciesInfo import SpeciesInfo
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from Cantera import rxnpath
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import webbrowser
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_CUTOFF = 1.e-15
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_ATOL = 1.e-15
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_RTOL = 1.e-7
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class KineticsFrame(Frame):
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def __init__(self,master):
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Frame.__init__(self,master)
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self.config(relief=FLAT, bd=4)
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self.top = self.master.top
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self.controls=Frame(self)
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self.hide = IntVar()
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self.hide.set(0)
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self.comp = IntVar()
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self.comp.set(2)
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self.controls.grid(column=1,row=0,sticky=W+E+N)
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self.makeControls()
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mf = self.master
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def makeControls(self):
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Radiobutton(self.controls,text='Creation Rates',
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variable=self.comp,value=0,
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command=self.show).grid(column=0,row=0,sticky=W)
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Radiobutton(self.controls,text='Destruction Rates',
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variable=self.comp,value=1,
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command=self.show).grid(column=0,row=1,sticky=W)
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Radiobutton(self.controls,text='Net Production Rates',
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variable=self.comp,value=2,
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command=self.show).grid(column=0,row=2,sticky=W)
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def show(self):
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mf = self.master
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mf.active = self
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c = self.comp.get()
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mix = self.top.mix
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g = mix.g
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if c == 0:
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mf.var.set("Creation Rates")
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#mf.data = spdict(mix.g, mix.moles())
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mf.comp = g.creationRates()
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elif c == 1:
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mf.var.set("Destruction Rates")
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#mf.data = spdict(mix.g,mix.mass())
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mf.comp = g.destructionRates()
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elif c == 2:
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mf.var.set("Net Production Rates")
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mf.comp = g.netProductionRates()
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#mf.data = spdict(mix,mix,mf.comp)
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for s in mf.variable.keys():
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try:
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k = g.speciesIndex(s)
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if mf.comp[k] > _CUTOFF or -mf.comp[k] > _CUTOFF:
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mf.variable[s].set(mf.comp[k])
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else:
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mf.variable[s].set(0.0)
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except:
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pass
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class SpeciesKineticsFrame(Frame):
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def __init__(self,master,top):
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Frame.__init__(self,master)
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self.config(relief=GROOVE, bd=4)
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self.top = top
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self.top.kinetics = self
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self.g = self.top.mix.g
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self.entries=Frame(self)
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self.var = StringVar()
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self.var.set("Net Production Rates")
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self.names = self.top.mix.speciesNames()
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self.nsp = len(self.names)
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self.comp = [0.0]*self.nsp
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self.makeControls()
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self.makeEntries()
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self.entries.bind('<Double-l>',self.minimize)
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self.ctype = 0
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def makeControls(self):
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self.c = KineticsFrame(self)
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#self.rr = ReactionKineticsFrame(self, self.top)
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self.c.grid(column=1,row=0,sticky=E+W+N+S)
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#self.rr.grid(column=0,row=1,sticky=E+W+N+S)
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def show(self):
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self.c.show()
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def redo(self):
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self.update()
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self.entries.destroy()
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self.entries=Frame(self)
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self.makeEntries()
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def minimize(self,Event=None):
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self.c.hide.set(1)
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self.redo()
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self.c.grid_forget()
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self.entries.bind("<Double-1>",self.maximize)
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def maximize(self,Event=None):
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self.c.hide.set(0)
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self.redo()
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self.c.grid(column=1,row=0,sticky=E+W+N+S)
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self.entries.bind("<Double-1>",self.minimize)
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def up(self, x):
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self.update()
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def makeEntries(self):
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self.entries.grid(row=0,column=0,sticky=W+N+S+E)
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self.entries.config(relief=FLAT,bd=4)
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DATAKEYS = self.top.species
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self.variable = {}
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n=0
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ncol = 3
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col = 0
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row = 60
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for sp in DATAKEYS:
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s = sp
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k = s.index
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if row > 15:
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row = 0
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col = col + 2
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l = Label(self.entries,text='Species')
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l.grid(column=col,row=row,sticky=E+W)
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e1 = Entry(self.entries)
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e1.grid(column=col+1,row=row,sticky=E+W)
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e1['textvariable'] = self.var
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e1.config(state=DISABLED)
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e1.config(bg='lightyellow',relief=RIDGE)
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row = row + 1
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spname = s.name
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val = self.comp[k]
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if not self.c.hide.get() or val: showit = 1
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else: showit = 0
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l=SpeciesInfo(self.entries,species=s,
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text=spname,relief=FLAT,justify=RIGHT,
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fg='darkblue')
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entry1 = Entry(self.entries)
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self.variable[spname] = DoubleVar()
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self.variable[spname].set(self.comp[k])
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entry1['textvariable']=self.variable[spname]
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entry1.bind('<Any-Leave>',self.up)
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if showit:
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l.grid(column= col ,row=row,sticky=E)
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entry1.grid(column=col+1,row=row)
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n=n+1
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row = row + 1
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entry1.config(state=DISABLED,bg='lightgray')
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class ReactionKineticsFrame(Frame):
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def __init__(self,vis,top):
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self.master = Toplevel()
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self.master.protocol("WM_DELETE_WINDOW",self.hide)
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self.vis = vis
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Frame.__init__(self,self.master)
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self.config(relief=GROOVE, bd=4)
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self.top = top
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self.g = self.top.mix.g
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nr = self.g.nReactions()
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self.eqs=Text(self,width=40,height=nr)
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self.data = []
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for i in range(4):
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self.data.append(Text(self,width=15,height=nr))
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for n in range(nr):
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s = self.g.reactionEqn(n)
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self.eqs.insert(END,s+'\n')
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self.eqs.grid(column=0,row=1,sticky=W+E+N)
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for i in range(4):
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self.data[i].grid(column=i+1,row=1,sticky=W+E+N)
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Label(self, text='Reaction').grid(column=0,row=0,sticky=W+E+N)
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Label(self, text='Fwd ROP').grid(column=1,row=0,sticky=W+E+N)
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Label(self, text='Rev ROP').grid(column=2,row=0,sticky=W+E+N)
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Label(self, text='Net ROP').grid(column=3,row=0,sticky=W+E+N)
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Label(self, text='Kp').grid(column=4,row=0,sticky=W+E+N)
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# Button(self, text='View Reaction Paths', command=self.viewRxnPaths).grid(column=0,row=2,sticky=W+E+N)
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self.grid(column=0,row=0)
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self.hide()
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def hide(self):
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# self.vis.set(0)
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self.master.withdraw()
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def show(self):
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v = self.vis.get()
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#if v == 0:
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# self.hide()
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# return
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self.master.deiconify()
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nr = self.g.nReactions()
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frop = self.g.fwdRatesOfProgress()
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rrop = self.g.revRatesOfProgress()
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kp = self.g.equilibriumConstants()
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self.data[0].delete(1.0,END)
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self.data[1].delete(1.0,END)
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self.data[2].delete(1.0,END)
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self.data[3].delete(1.0,END)
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for n in range(nr):
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s = '%12.5e \n' % (frop[n],)
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self.data[0].insert(END,s)
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s = '%12.5e \n' % (rrop[n],)
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self.data[1].insert(END,s)
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s = '%12.5e \n' % (frop[n] - rrop[n],)
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self.data[2].insert(END,s)
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s = '%12.5e \n' % (kp[n],)
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self.data[3].insert(END,s)
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class ReactionPathFrame(Frame):
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def __init__(self,top):
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self.master = Toplevel()
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self.master.protocol("WM_DELETE_WINDOW",self.hide)
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#self.vis = vis
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Frame.__init__(self,self.master)
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self.config(relief=GROOVE, bd=4)
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self.grid(column=0,row=0)
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self.top = top
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self.g = self.top.mix.g
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self.el = IntVar()
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self.el.set(0)
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self.thresh = DoubleVar()
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scframe = Frame(self)
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self.sc = Scale(scframe,variable = self.thresh,
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orient='horizontal',digits=3,length=300,resolution=0.01)
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self.sc.config(cnf={'from':-6,'to':0})
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Label(scframe,text='log10 Threshold').grid(column=0,row=0)
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self.sc.grid(row=0,column=1,columnspan=10)
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self.sc.bind('<ButtonRelease-1>',self.show)
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scframe.grid(row=3,column=0,columnspan=10)
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enames = self.g.elementNames()
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self.nel = len(enames)
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i = 1
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eframe = Frame(self)
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Label(eframe,text='Element').grid(column=0,row=0,sticky=W)
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for e in enames:
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Radiobutton(eframe,text=e,
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variable=self.el,value=i-1,
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command=self.show).grid(column=i,row=0,sticky=W)
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i += 1
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eframe.grid(row=0,column=0)
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self.detailed = IntVar()
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Checkbutton(self, text = 'Show details', variable=self.detailed,
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command=self.show).grid(column=1,row=0)
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self.net = IntVar()
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Checkbutton(self, text = 'Show net flux',
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variable=self.net,
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command=self.show).grid(column=2,row=0)
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self.local = StringVar()
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Label(self,text='Species').grid(column=1,row=1,sticky=E)
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sp = Entry(self, textvariable=self.local,
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width=15)
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sp.grid(column=2,row=1)
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sp.bind('<Any-Leave>',self.show)
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self.b = rxnpath.PathBuilder(self.g)
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self.fmt = StringVar()
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self.fmt.set('svg')
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i = 1
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fmtframe = Frame(self)
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fmtframe.config(relief=GROOVE, bd=4)
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self.browser = IntVar()
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Checkbutton(fmtframe, text = 'Display in Web Browser',
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variable=self.browser,
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command=self.show).grid(column=0,columnspan=6,row=0)
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Label(fmtframe,text='Format').grid(column=0,row=1,sticky=W)
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for e in ['svg', 'png', 'gif', 'jpg']:
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Radiobutton(fmtframe,text=e,
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variable=self.fmt,value=e,
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command=self.show).grid(column=i,row=1,sticky=W)
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i += 1
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fmtframe.grid(row=5,column=0,columnspan=10,sticky=E+W)
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self.cv = Canvas(self,relief=SUNKEN,bd=1)
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self.cv.grid(column=0,row=4,sticky=W+E+N,columnspan=10)
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pframe = Frame(self)
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pframe.config(relief=GROOVE, bd=4)
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self.dot = StringVar()
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self.dot.set('dot -Tgif rxnpath.dot > rxnpath.gif')
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Label(pframe,text='DOT command:').grid(column=0,row=0,sticky=W)
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Entry(pframe,width=60,textvariable=self.dot).grid(column=0,
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row=1,sticky=W)
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pframe.grid(row=6,column=0,columnspan=10,sticky=E+W)
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self.thresh.set(-2.0)
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self.hide()
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def hide(self):
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#self.vis.set(0)
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self.master.withdraw()
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def show(self,e=None):
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self.master.deiconify()
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el = self.g.elementName(self.el.get())
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det = 'false'
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if self.detailed.get() == 1: det = 'true'
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flow = 'one_way'
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if self.net.get() == 1: flow = 'net'
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self.d = rxnpath.PathDiagram(arrow_width=-2,
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flow_type=flow,
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detailed = det,
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threshold=math.pow(10.0,
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self.thresh.get()))
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node = self.local.get()
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try:
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k = self.g.speciesIndex(node)
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self.d.displayOnly(k)
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except:
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self.d.displayOnly()
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self.b.build(element = el, diagram = self.d,
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dotfile = 'rxnpath.dot', format = 'dot')
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if self.browser.get() == 1:
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fmt = self.fmt.get()
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os.system('dot -T'+fmt+' rxnpath.dot > rxnpath.'+fmt)
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webbrowser.open('rxnpath.'+fmt)
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try:
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self.cv.delete(self.image)
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except:
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pass
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else:
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os.system(self.dot.get())
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self.rp = PhotoImage(file='rxnpath.gif')
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try:
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self.cv.delete(self.image)
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except:
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pass
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self.cv.configure(width=self.rp.width(),
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height=self.rp.height())
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self.image = self.cv.create_image(0,0,anchor=NW,
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image=self.rp)
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