from Tkinter import * import re, math from Cantera import * from Units import temperature, specificEnergy, specificEntropy from UnitChooser import UnitVar from GraphFrame import Graph def testit(): pass class SpeciesInfo(Label): def __init__(self,master,phase=None,species=None,**opt): Label.__init__(self,master,opt) self.sp = species self.phase = phase self.bind('', self.show) self.bind('', self.show) self.bind('', self.highlight) self.bind('', self.nohighlight) def highlight(self, event=None): self.config(fg='yellow') def nohighlight(self, event=None): self.config(fg='darkblue') def show(self, event): self.new=Toplevel() self.new.title(self.sp.symbol) #self.new.transient(self.master) self.new.bind("", self.update,"+") self.cpr = 0.0 self.t = 0.0 self.cpl = 0.0 self.tl = 0.0 self.cpp = [[(0.0, 0.0, 'red')]] # elemental composition self.eframe = Frame(self.new) self.eframe.config(relief=GROOVE,bd=4) self.eframe.grid(row=0,column=0,columnspan=10,sticky=E+W) r = 1 Label(self.eframe,text='Atoms:')\ .grid(row=0,column=0,sticky=N+W) for el, c in self.sp.composition(): Label(self.eframe,text=`int(c)`+' '+el).grid(row=0,column=r) r = r + 1 # thermodynamic properties self.thermo = Frame(self.new) self.thermo.config(relief=GROOVE,bd=4) self.thermo.grid(row=1,column=0,columnspan=10,sticky=N+E+W) Label(self.thermo,text = 'Standard Heat of Formation at 298 K: ').grid(row=0, column=0, sticky=W) Label(self.thermo,text = '%8.2f kJ/mol' % (self.sp.hf0*1.0e-6)).grid(row=0, column=1, sticky=W) Label(self.thermo,text = 'Molar Mass: ').grid(row=1, column=0, sticky=W) Label(self.thermo,text = self.sp.molecularWeight).grid(row=1, column=1, sticky=W) labels = ['Temperature', 'c_p', 'Enthalpy', 'Entropy'] units = [temperature, specificEntropy, specificEnergy, specificEntropy] whichone = [0, 1, 1, 1] r = 2 self.prop = [] for prop in labels: Label(self.thermo,text=prop).grid(row=r,column=0,sticky=W) p = UnitVar(self.thermo,units[r-2],whichone[r-2]) p.grid(row=r,column=1,sticky=W) p.v.config(state=DISABLED,bg='lightgray') self.prop.append(p) r = r + 1 tmin = self.sp.minTemp tmax = self.sp.maxTemp cp = self.sp.cp_R(tmin) hh = self.sp.enthalpy_RT(tmin) ss = self.sp.entropy_R(tmin) self.prop[0].bind("", self.decouple) self.prop[0].bind("", self.update) self.prop[0].bind("", self.update) self.prop[0].v.config(state=NORMAL,bg='white') self.prop[0].set(300.0) self.graphs = Frame(self.new) self.graphs.config(relief=GROOVE,bd=4) self.graphs.grid(row=2,column=0,columnspan=10,sticky=E+W) self.cpdata = [] self.hdata = [] self.sdata = [] t = tmin n = int((tmax - tmin)/100.0) while t <= tmax: self.cpdata.append((t,self.sp.cp_R(t))) self.hdata.append((t,self.sp.enthalpy_RT(t))) self.sdata.append((t,self.sp.entropy_R(t))) t = t + n # specific heat Label(self.graphs,text='c_p/R').grid(row=0,column=0,sticky=W+E) ymin, ymax, dtick = self.plotLimits(self.cpdata) self.cpg = Graph(self.graphs,'',tmin,tmax,ymin,ymax, pixelX=150,pixelY=150) self.cpg.canvas.config(bg='white') self.cpg.grid(row=1,column=0,columnspan=2,sticky=W+E) self.ticks(ymin, ymax, dtick, tmin, tmax, self.cpg) # enthalpy Label(self.graphs,text='enthalpy/RT').grid(row=0,column=3,sticky=W+E) ymin, ymax, dtick = self.plotLimits(self.hdata) self.hg = Graph(self.graphs,'',tmin,tmax,ymin,ymax, pixelX=150,pixelY=150) self.hg.canvas.config(bg='white') self.hg.grid(row=1,column=3,columnspan=2,sticky=W+E) self.ticks(ymin, ymax, dtick, tmin, tmax, self.hg) # entropy Label(self.graphs,text='entropy/R').grid(row=0,column=5,sticky=W+E) ymin, ymax, dtick = self.plotLimits(self.sdata) self.sg = Graph(self.graphs,'',tmin,tmax,ymin,ymax, pixelX=150,pixelY=150) self.sg.canvas.config(bg='white') self.sg.grid(row=1,column=5,columnspan=2,sticky=W+E) self.ticks(ymin, ymax, dtick, tmin, tmax, self.sg) n = int((tmax - tmin)/100.0) t = tmin self.cpp = [] for t, cp in self.cpdata: self.cpg.join([(t,cp,'red')]) for t, h in self.hdata: self.hg.join([(t,h,'green')]) for t, s in self.sdata: self.sg.join([(t,s,'blue')]) self.cpdot = self.cpg.plot(tmin,cp,'red') self.hdot = self.hg.plot(tmin,hh,'green') self.sdot = self.sg.plot(tmin,ss,'blue') b=Button(self.new,text=' OK ',command=self.finished, default=ACTIVE) #ed=Button(self.new,text='Edit',command=testit) b.grid(column=0, row=4,sticky=W) #ed.grid(column=1,row=4,sticky=W) self.scfr = Frame(self.new) self.scfr.config(relief=GROOVE,bd=4) self.scfr.grid(row=3,column=0,columnspan=10,sticky=N+E+W) self.sc = Scale(self.scfr,command=self.update,variable = self.prop[0].x, orient='horizontal',digits=7,length=400) self.sc.config(cnf={'from':tmin,'to':tmax}) self.sc.bind('',self.couple) self.scfr.bind('',self.decouple) self.sc.grid(row=0,column=0,columnspan=10) def decouple(self,event=None): d = DoubleVar() xx = self.prop[0].get() d.set(xx) self.sc.config(variable = d) def couple(self,event=None): self.sc.config(variable = self.prop[0].x) #self.update() def update(self,event=None): try: tmp = self.prop[0].get() cnd = self.sp.cp_R(tmp) cc = cnd*GasConstant self.prop[1].set(cc) hnd = self.sp.enthalpy_RT(tmp) hh = hnd*tmp*GasConstant self.prop[2].set(hh) snd = self.sp.entropy_R(tmp) ss = snd*tmp*GasConstant self.prop[3].set(ss) self.cppoint = tmp, cnd self.hpoint = tmp, hnd self.spoint = tmp, snd if hasattr(self, 'cpdot'): self.cpg.delete(self.cpdot) self.cpdot = self.cpg.plot(self.cppoint[0], self.cppoint[1],'red') self.hg.delete(self.hdot) self.hdot = self.hg.plot(self.hpoint[0], self.hpoint[1],'green') self.sg.delete(self.sdot) self.sdot = self.sg.plot(self.spoint[0], self.spoint[1],'blue') except: pass def plotLimits(self, xy): ymax = -1.e10 ymin = 1.e10 for x, y in xy: if y > ymax: ymax = y if y < ymin: ymin = y dy = abs(ymax - ymin) if dy < 0.2*ymin: ymin = ymin*.9 ymax = ymax*1.1 dy = abs(ymax - ymin) else: ymin = ymin - 0.1*dy ymax = ymax + 0.1*dy dy = abs(ymax - ymin) p10 = math.floor(math.log10(0.1*dy)) fctr = math.pow(10.0, p10) mm = [2.0, 2.5, 2.0] i = 0 while dy/fctr > 5: fctr = mm[i % 3]*fctr i = i + 1 ymin = fctr*math.floor(ymin/fctr) ymax = fctr*(math.floor(ymax/fctr + 1)) return (ymin, ymax, fctr) def ticks(self, ymin, ymax, dtick, tmin, tmax, plot): ytick = ymin eps = 1.e-3 while ytick <= ymax: if abs(ytick) < eps: plot.join([(tmin, ytick, 'gray')]) plot.join([(tmax, ytick, 'gray')]) plot.last_points = [] else: plot.join([(tmin, ytick, 'gray')]) plot.join([(tmin + 0.05*(tmax - tmin), ytick, 'gray')]) plot.last_points = [] plot.join([(2.0*tmax, ytick, 'gray')]) plot.join([(tmax - 0.05*(tmax - tmin), ytick, 'gray')]) plot.last_points = [] ytick = ytick + dtick def finished(self,event=None): self.new.destroy()