def show(self, event):
self.new = Toplevel()
self.new.title(self.sp.symbol)
#self.new.transient(self.master)
self.new.bind("<Return>", 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("<Any-Enter>", self.decouple)
self.prop[0].bind("<Any-Leave>", self.update)
self.prop[0].bind("<Key>", 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('<Any-Enter>', self.couple)
self.scfr.bind('<Any-Leave>', self.decouple)
self.sc.grid(row=0, column=0, columnspan=10)
def show(self, event):
self.new=Toplevel()
self.new.title(self.sp.symbol)
#self.new.transient(self.master)
self.new.bind("<Return>", 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("<Any-Enter>", self.decouple)
self.prop[0].bind("<Any-Leave>", self.update)
self.prop[0].bind("<Key>", 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('<Any-Enter>',self.couple)
self.scfr.bind('<Any-Leave>',self.decouple)
self.sc.grid(row=0,column=0,columnspan=10)
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('<Double-1>', self.show)
self.bind('<Button-3>', self.show)
self.bind('<Any-Enter>', self.highlight)
self.bind('<Any-Leave>', 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("<Return>", 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("<Any-Enter>", self.decouple)
self.prop[0].bind("<Any-Leave>", self.update)
self.prop[0].bind("<Key>", 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('<Any-Enter>', self.couple)
self.scfr.bind('<Any-Leave>', 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()
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('<Double-1>', self.show)
self.bind('<Button-3>', self.show)
self.bind('<Any-Enter>', self.highlight)
self.bind('<Any-Leave>', 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("<Return>", 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("<Any-Enter>", self.decouple)
self.prop[0].bind("<Any-Leave>", self.update)
self.prop[0].bind("<Key>", 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('<Any-Enter>',self.couple)
self.scfr.bind('<Any-Leave>',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()
